⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9438323 | 0.77 | — | — | |
| SCHEMBL4618906 | 0.74 | — | — | |
| SCHEMBL23502429 | 0.73 | — | — | |
| SCHEMBL10045293 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL134615 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL29024379 | 0.72 | FDPS (0.31) | — | |
| SCHEMBL26107407 | 0.70 | CA2 (0.35) | — | |
| Propane SCHEMBL8041401 | 0.70 | BHMT (0.35) | — | |
| SCHEMBL10507828 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL8743699 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863286-B2 | Stereoisomerically enriched 3-aminocarbonyl bicycloheptene pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20070179140-A1 | Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2007-08-02 | — | — | US | disclosed |
| EP-0888334-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030986-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-28 | — | — | WO | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |