⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6626531 | 0.78 | — | — | |
| SCHEMBL18660658 | 0.74 | — | — | |
| SCHEMBL27953557 | 0.73 | — | — | |
| SCHEMBL528110 | 0.73 | — | — | |
| SCHEMBL10811609 | 0.73 | — | — | |
| SCHEMBL6756326 | 0.73 | — | — | |
| SCHEMBL7327170 | 0.70 | MEN1 (0.48) | — | |
| SCHEMBL1603169 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL31331625 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL28026992 | 0.68 | — | — |
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-6906093-B2 | Indolinone combinatorial libraries and related products and methods for the treatment of disease | SUGEN, INC. (US) | 2005-06-14 | — | — | US | disclosed |