Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL545083 | 0.87 | TSHR (0.50) | ALDH1A1TDP1TSHRLMNACA2 | |
| SCHEMBL30318973 | 0.87 | TSHR (0.50) | ALDH1A1TDP1TSHRLMNACA2 | |
| SCHEMBL29441997 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| SCHEMBL63469 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| SCHEMBL6566306 | 0.86 | TSHR (0.48) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| SCHEMBL11724304 | 0.86 | TSHR (0.39) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| SCHEMBL11722237 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| SCHEMBL11724773 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TDP1POLBL3MBTL1IDO1 | |
| Benzene SCHEMBL21048983 | 0.84 | TSHR (0.56) | ALDH1A1TDP1TSHRLMNACYP1A2 | |
| Hydrogen Sulfide SCHEMBL28274662 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1POLBL3MBTL1IDO1 |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100500631-C | Process of preparing 3-trifluoromethyl benzoic acid | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2009-06-17 | — | — | CN | claimed |
| CN-100500637-C | Preparation process of 3-trifluoro methyl benzoate | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2009-06-17 | — | — | CN | claimed |
| CN-101066926-A | Prepn process of 3-trifluoro methyl benzoate | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2007-11-07 | — | — | CN | claimed |
| CN-101066917-A | Process of preparing 3-trifluoromethyl benzoic acid | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2007-11-07 | — | — | CN | claimed |
| EP-0953557-B1 | Method for producing bis(trifluoromethyl)benzene | CENTRAL GLASS CO LTD (JP) | 2004-03-31 | — | — | EP | claimed |
| WO-2001079148-A2 | METHOD OF MAKING BENZOYL HALIDES AND NITRILES | AMERICAN WRECKING CORPORATION OF NEW JERSEY (US) | 2001-10-25 | — | — | WO | claimed |
| US-6093858-A | Method for producing bis (trifluoromethyl) benzene | CENTRAL GLASS COMPANY, LIMITED (JP) | 2000-07-25 | — | — | US | claimed |
| EP-0953557-A1 | Method for producing bis(trifluoromethyl)benzene | Central Glass Company, Limited (JP) | 1999-11-03 | — | — | EP | claimed |
| US-4296244-A | (3-Trifluoromethylphenyl)-alpha-hydroxyacetic acid and process for preparation | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1981-10-20 | — | — | US | claimed |
| US-4268687-A | Method of making methyl and ethyl esters of (3-trifluoromethylphenyl)-acetic acid | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1981-05-19 | — | — | US | claimed |
| US-4238413-A | (3-Trifluoromethyl)-benzoyl cyanide and process for its production | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1980-12-09 | — | — | US | claimed |
| US-4183873-A | WITH HYDROGEN FLUORIDE IN THE PRESENCE OF MOLYBDENUM PENTACHLORIDE CATALYST | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1980-01-15 | — | — | US | claimed |
| US-4093669-A | HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-06 | — | — | US | claimed |
| US-4079089-A | CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | claimed |
| JP-11310542-A | — | — | None | — | — | JP | disclosed |
| CN-107417518-A | To trifluoromethylbenzoic acid synthetic method between a kind of neighbour | 淄博飞源化工有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-100500637-C | Preparation process of 3-trifluoro methyl benzoate | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2009-06-17 | — | — | CN | disclosed |
| US-4079089-A | CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |
| US-4079090-A | Preparation of trichloromethyl-trifluoro methyl-benzenes | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |
| US-4079089-A | CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |