⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL974052 | 0.77 | — | — | |
| SCHEMBL4660514 | 0.71 | — | — | |
| SCHEMBL11756433 | 0.70 | EPHX1 (0.45) | — | |
| SCHEMBL10380517 | 0.70 | CA12 (0.48) | — | |
| SCHEMBL27707300 | 0.70 | — | — | |
| SCHEMBL5555167 | 0.69 | — | — | |
| SCHEMBL28168191 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL28066915 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL28565352 | 0.67 | — | — | |
| Nornitrogen Mustard SCHEMBL5391167 | 0.67 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116903628-A | FGFR2 inhibitors and methods of use | 深圳福沃药业有限公司 | 2023-10-20 | — | — | CN | disclosed |