⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27865099 | 0.78 | TYR (0.38) | — | |
| SCHEMBL8197197 | 0.78 | — | — | |
| SCHEMBL7136350 | 0.73 | TRPV4 (0.34) | — | |
| SCHEMBL8199190 | 0.71 | TSHR (0.56) | — | |
| SCHEMBL3700915 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL29587349 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL1539432 | 0.70 | IDO1 (0.46) | — | |
| SCHEMBL3403920 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL11073040 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL1561687 | 0.68 | CYP2A6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012786-A1 | INDOLINONE DERIVATIVES | HOWARD HARRY R JR (US) | 1993-07-08 | — | — | WO | claimed |