⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5627593 | 0.73 | — | — | |
| SCHEMBL22804831 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL30674690 | 0.68 | HTT (0.30) | — | |
| SCHEMBL9918129 | 0.68 | — | — | |
| SCHEMBL12658989 | 0.67 | NCF1 (0.36) | — | |
| SCHEMBL251470 | 0.65 | — | — | |
| SCHEMBL11049355 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL5376291 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL28870451 | 0.62 | HTT (0.31) | — | |
| SCHEMBL264764 | 0.61 | — | — |
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-7166615-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-23 | — | — | US | disclosed |
| US-7160901-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-09 | — | — | US | disclosed |