⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169840 | 0.72 | — | — | |
| SCHEMBL5649169 | 0.69 | — | — | |
| SCHEMBL8009342 | 0.65 | — | — | |
| SCHEMBL8012550 | 0.65 | — | — | |
| SCHEMBL54204 | 0.65 | — | — | |
| SCHEMBL11653702 | 0.62 | — | — | |
| SCHEMBL17612827 | 0.61 | — | — | |
| SCHEMBL8374688 | 0.61 | — | — | |
| SCHEMBL4466095 | 0.61 | — | — | |
| SCHEMBL16622619 | 0.61 | — | — |
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-117279632-A | TAAR1 and serotonin modulators, pharmaceutical compositions thereof, and methods of use | 赛诺维信制药公司 | 2023-12-22 | — | — | CN | disclosed |