⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31296259 | 0.88 | THRB (0.44) | — | |
| SCHEMBL8108951 | 0.83 | — | — | |
| SCHEMBL10339403 | 0.80 | — | — | |
| SCHEMBL8099033 | 0.80 | — | — | |
| SCHEMBL3079563 | 0.80 | — | — | |
| SCHEMBL8405624 | 0.78 | — | — | |
| SCHEMBL7136058 | 0.78 | LMNA (0.48) | — | |
| SCHEMBL8108490 | 0.76 | ADRB2 (0.36) | — | |
| SCHEMBL4257430 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL5075134 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111889046-B | Microchannel reaction equipment and preparation method of halogen-free organic phosphorus flame retardant | 南通江山农药化工股份有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-111889046-A | Micro-channel reaction equipment and preparation method of halogen-free organic phosphorus flame retardant | 南通江山农药化工股份有限公司 | 2020-11-06 | — | — | 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-0219654-A2 | Process for the preparation of 4-chlorbutanals | Degussa Aktiengesellschaft (DE) | 1987-04-29 | — | — | EP | disclosed |
| EP-0023140-B1 | HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-10-31 | — | — | EP | disclosed |
| US-4424073-A | N-(PYRIMIDINYLAMINOCARBONYL/SULFONAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-01-03 | — | — | US | disclosed |
| US-4342587-A | Herbicidal pyridinsulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-08-03 | — | — | US | disclosed |
| EP-0023140-A2 | Herbicidal sulfonamides, preparation and use thereof, and compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-01-28 | — | — | EP | disclosed |