⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28119462 | 0.93 | CA2 (0.33) | — | |
| SCHEMBL11691914 | 0.92 | — | — | |
| SCHEMBL27775693 | 0.90 | LMNA (0.41) | — | |
| SCHEMBL2118847 | 0.82 | — | — | |
| Toluene SCHEMBL28838064 | 0.80 | LMNA (0.39) | — | |
| Chlorobenzene SCHEMBL28119525 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL8380643 | 0.80 | DNM1 (0.39) | — | |
| SCHEMBL28449715 | 0.80 | DNM1 (0.39) | — | |
| Fluorobenzene SCHEMBL28119461 | 0.79 | PRSS1 (0.34) | — | |
| SCHEMBL20033603 | 0.79 | PRKD3 (0.37) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960291-A | Preparation method of long-chain haloalkyl styrene polymer | 南京大学 | 2023-04-14 | — | — | CN | claimed |
| CN-108409634-A | Carbazoles fluorescence amine compound label reagent, synthesis and application | 曲阜师范大学 | 2018-08-17 | — | — | CN | claimed |
| CN-115960291-A | Preparation method of long-chain haloalkyl styrene polymer | 南京大学 | 2023-04-14 | — | — | CN | disclosed |
| CN-108409634-A | Carbazoles fluorescence amine compound label reagent, synthesis and application | 曲阜师范大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-106267226-A | Treat osteosarcomatous triptolide derivant and preparation method thereof | 北京和理咨询有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-106132978-A | A kind of synthetic method of biopolymer derivant, this biopolymer derivant and application thereof | 波兰科学院生物化学与生物物理研究所 | 2016-11-16 | — | — | CN | disclosed |
| CN-105121445-A | 5H-chromeno[3,4-c]pyridines as inhibitors of adaptor associated kinase 1 (AAK1) | BRISTOL MYERS SQUIBB CO | 2015-12-02 | — | — | CN | disclosed |
| CN-100351225-C | Symmetrel derivatives and synthesis method thereof and their use as neuron damage protective agent | INST MEDICINAL BIOTECHNOLOGY (CN) | 2007-11-28 | — | — | CN | disclosed |
| CN-1634859-A | Symmetrel derivatives and synthesis method thereof and their use as neuron damage protective agent | INST MEDICINAL BIOTECHNOLOGY (CN) | 2005-07-06 | — | — | CN | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |
| EP-0767768-B1 | HALOALKYLATION PROCESS | ALBEMARLE CORP (US) | 1999-03-31 | — | — | EP | disclosed |
| EP-0767768-A1 | HALOALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 1997-04-16 | — | — | EP | disclosed |
| CN-1134148-A | Antithrombotic amidinophenylalanine and amidinopyridylalanine derivs | PFIZER RES & DEV (IE) | 1996-10-23 | — | — | CN | disclosed |
| WO-1996000202-A1 | HALOALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 1996-01-04 | — | — | WO | disclosed |
| US-5475170-A | Haloalkylation process | ALBERMARLE CORPORATION (US) | 1995-12-12 | — | — | US | disclosed |
| US-5319150-A | Chloroalkylation of aromatic compounds | ALBEMARLE CORPORATION (US) | 1994-06-07 | — | — | US | disclosed |
| US-5136115-A | BROMOALKYLATION OF AROMATIC COMPOUNDS | ALBERMARLE CORPORATION | 1992-08-04 | — | — | US | disclosed |
| EP-0369728-A1 | Haloalkylation of aromatic compounds | ETHYL CORPORATION (US) | 1990-05-23 | — | — | EP | disclosed |