⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25430103 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL8768481 | 0.58 | CYP1A2 (0.33) | — | |
| SCHEMBL29417880 | 0.57 | — | — | |
| SCHEMBL349606 | 0.57 | KDM4E (0.43) | — | |
| SCHEMBL6626694 | 0.56 | — | — | |
| SCHEMBL9300176 | 0.56 | ALDH1A1 (0.30) | — | |
| SCHEMBL16744010 | 0.54 | — | — | |
| SCHEMBL8419002 | 0.52 | TUBB1 (0.42) | — | |
| SCHEMBL25627602 | 0.52 | — | — | |
| SCHEMBL246412 | 0.51 | RAPGEF4 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6861418-B2 | 4-aryl substituted indolinones | SUGEN, INC. (US) | 2005-03-01 | — | — | US | disclosed |