⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6839964 | 0.79 | MYC (0.31) | — | |
| SCHEMBL6840019 | 0.73 | EGFR (0.33) | — | |
| SCHEMBL5818004 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL5813457 | 0.69 | NPC1 (0.39) | — | |
| SCHEMBL5819177 | 0.68 | MAPK14 (0.38) | — | |
| SCHEMBL6070023 | 0.68 | TGFBR1 (0.32) | — | |
| SCHEMBL5815412 | 0.67 | KMO (0.38) | — | |
| SCHEMBL5817042 | 0.67 | RORB (0.38) | — | |
| SCHEMBL6840009 | 0.66 | MEN1 (0.41) | — | |
| SCHEMBL27997668 | 0.65 | AURKA (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040181066-A1 | Tyrosine kinase inhibitors | FRALEY MARK E (US) | 2004-09-16 | — | — | US | disclosed |
| WO-2003011838-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-02-13 | — | — | WO | disclosed |