⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14641323 | 0.78 | — | — | |
| SCHEMBL29096043 | 0.78 | — | — | |
| SCHEMBL164168 | 0.67 | — | — | |
| SCHEMBL1673128 | 0.65 | — | — | |
| SCHEMBL5700805 | 0.63 | — | — | |
| SCHEMBL25650050 | 0.63 | — | — | |
| SCHEMBL2765070 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL3434278 | 0.63 | — | — | |
| SCHEMBL130327 | 0.61 | — | — | |
| SCHEMBL22494209 | 0.61 | AKR1B1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876382-B1 | BIS- AND TRIS(PYRAZOLYL)BORATE METAL COMPLEX CATALYSTS | BASF AG (DE) | 2001-03-14 | — | — | EP | claimed |