⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6286491 | 0.78 | HSD17B10 (0.33) | — | |
| SCHEMBL1205136 | 0.78 | — | — | |
| SCHEMBL28179999 | 0.77 | ERN1 (0.35) | — | |
| SCHEMBL7685032 | 0.77 | NQO2 (0.30) | — | |
| SCHEMBL2347534 | 0.77 | — | — | |
| SCHEMBL29134461 | 0.75 | — | — | |
| SCHEMBL8622856 | 0.75 | ALOX5AP (0.31) | — | |
| SCHEMBL748497 | 0.71 | CA2 (0.30) | — | |
| SCHEMBL28851896 | 0.70 | — | — | |
| SCHEMBL1662818 | 0.70 | — | — |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |