⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL788824 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL3816861 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL19225172 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL24340262 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL789214 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL24339706 | 0.68 | CYP2C9 (0.38) | — | |
| SCHEMBL12186292 | 0.67 | — | — | |
| SCHEMBL24339738 | 0.67 | CYP2C9 (0.36) | — | |
| SCHEMBL11794178 | 0.65 | — | — | |
| SCHEMBL14767830 | 0.64 | L3MBTL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3106453-B1 | METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX | TAKASAGO PERFUMERY CO LTD (JP) | 2020-04-08 | — | — | EP | disclosed |