⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28041574 | 0.82 | CYP19A1 (0.38) | — | |
| SCHEMBL7797709 | 0.71 | GPR35 (0.33) | — | |
| SCHEMBL6169307 | 0.65 | DYRK1A (0.33) | — | |
| SCHEMBL5725295 | 0.65 | ICMT (0.46) | — | |
| SCHEMBL7759797 | 0.64 | CYP19A1 (0.39) | — | |
| SCHEMBL1552646 | 0.64 | CYP19A1 (0.43) | — | |
| SCHEMBL10369012 | 0.64 | GAA (0.40) | — | |
| SCHEMBL29868498 | 0.64 | NOTUM (0.32) | — | |
| SCHEMBL15200770 | 0.62 | TP53 (0.30) | — | |
| SCHEMBL4884336 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202988-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| EP-1173468-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-23 | — | — | EP | disclosed |
| WO-2001010847-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |
| WO-2000066618-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |