Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.70 |
| ▸ | CES1 | P23141 | 2/20 | 0.70 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.57 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL21291903 | 0.82 | ALDH1A1 (0.58) | CES2CES1SRD5A2MEN1TSHR | |
| SCHEMBL3172262 | 0.82 | CES2 (1.00) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL648641 | 0.82 | SRD5A2 (0.83) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL10894828 | 0.81 | CES2 (0.46) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL10702196 | 0.81 | CES2 (0.46) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL102601 | 0.81 | TSHR (0.47) | CES2CES1SRD5A2HPGDTSHR | |
| SCHEMBL349343 | 0.80 | CES2 (0.70) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL78879 | 0.80 | SRD5A2 (0.87) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL1330891 | 0.80 | SRD5A2 (0.87) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL2195841 | 0.80 | CES2 (0.70) | CES2CES1SRD5A2GSK3BPTPN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115717009-B | Perovskite ink and preparation method and application thereof | 江苏集萃有机光电技术研究所有限公司 | 2023-11-14 | — | — | CN | claimed |
| CN-115717009-A | Perovskite ink and preparation method and application thereof | 江苏集萃有机光电技术研究所有限公司 | 2023-02-28 | — | — | CN | claimed |
| EP-0251041-B1 | PROCESS FOR PREPARING 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THE COMPOUNDS 2,3,5,6-TETRACHLORO-4-TRIFLUOROMETHYLBENZOYL CHLORIDE AND 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYLBENZOYL FLUORIDE | BAYER AG (DE) | 1989-11-08 | — | — | EP | claimed |
| US-4755621-A | Process for the preparation of 2,3,5,6-tetrafluorobenzoic acid, and the new compounds 2,3,5,6-tetrachloro-4-trifluoromethyl-benzoyl chloride and 2,3,5,6-tetrafluoro-4-trifluoromethyl-benzoyl fluoride | BAYER AKTIENGESELLSCHAFT (DE) | 1988-07-05 | — | — | US | claimed |
| EP-0251041-A1 | Process for preparing 2,3,5,6-tetrafluorobenzoic acid and the compounds 2,3,5,6-tetrachloro-4-trifluoromethylbenzoyl chloride and 2,3,5,6-tetrafluoro-4-trifluoromethylbenzoyl fluoride | BAYER AG (DE) | 1988-01-07 | — | — | EP | claimed |
| US-4581179-A | Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-08 | — | — | US | claimed |
| EP-0038223-A1 | Process for the preparation of trifluoromethylbenzoyl halides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1981-10-21 | — | — | EP | claimed |
| JP-8225491-A | — | — | None | — | — | JP | disclosed |
| CN-115259996-B | Synthesis method of 2,3,5, 6-tetrafluorobenzyl alcohol | 浙江中欣氟材股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-115717009-B | Perovskite ink and preparation method and application thereof | 江苏集萃有机光电技术研究所有限公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-115717009-A | Perovskite ink and preparation method and application thereof | 江苏集萃有机光电技术研究所有限公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-115259996-A | Synthetic method of transfluthrin intermediate | 浙江中欣氟材股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-113292399-B | Synthetic method of transfluthrin intermediate | 浙江中欣氟材股份有限公司 | 2021-11-26 | — | — | CN | disclosed |
| EP-0038223-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-08-08 | — | — | EP | disclosed |
| US-4454350-A | Process for the acylation of halo- or trihalomethylbenzenes | RHONE-POULENC SPECIALITIES CHIMIQUES (FR) | 1984-06-12 | — | — | US | disclosed |
| US-4446078-A | REACTING A POLYHALOALKOXY- OR POLYHALOALKYLTHIOBENZENE WITH A CARBOXYLIC DERIVATIVE, BORON TRIFLUORIDE | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-05-01 | — | — | US | disclosed |
| EP-0038987-B1 | PROCESS FOR PREPARING ACYL CYANIDES | BAYER AG (DE) | 1983-06-08 | — | — | EP | disclosed |
| EP-0038987-A1 | Process for preparing acyl cyanides | BAYER AG (DE) | 1981-11-04 | — | — | EP | disclosed |
| EP-0038223-A1 | Process for the preparation of trifluoromethylbenzoyl halides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1981-10-21 | — | — | EP | disclosed |
| US-4283344-A | Process for producing 1,1,3,3-tetrafluoro-1,3-dihydro-isobenzofuran | NIHON NOHYAKU CO., LTD. (JP) | 1981-08-11 | — | — | US | disclosed |