⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11032523 | 0.97 | HRH3 (0.48) | — | |
| SCHEMBL28356843 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL2817042 | 0.77 | KDM4E (0.52) | — | |
| SCHEMBL10846103 | 0.77 | HRH3 (0.48) | — | |
| SCHEMBL5489927 | 0.74 | HRH3 (0.52) | — | |
| SCHEMBL11179141 | 0.74 | HRH3 (0.52) | — | |
| SCHEMBL4151199 | 0.72 | — | — | |
| SCHEMBL2508744 | 0.72 | — | — | |
| SCHEMBL678885 | 0.72 | — | — | |
| SCHEMBL10379098 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040186161-A1 | Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives | SUGEN, INC. | 2004-09-23 | — | — | US | disclosed |
| EP-1349852-A2 | 4-(HETERO)ARYL SUBSTITUTED INDOLINONES | Sugen, Inc. (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055517-A2 | 4-(HETERO)ARYL SUBSTITUTED INDOLINONES | CUI JINGRONG (US) | 2002-07-18 | — | — | WO | disclosed |