⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3653848 | 0.80 | — | — | |
| SCHEMBL18104317 | 0.79 | — | — | |
| SCHEMBL16054720 | 0.78 | — | — | |
| SCHEMBL29915685 | 0.78 | CHRM3 (0.41) | — | |
| SCHEMBL10895454 | 0.71 | — | — | |
| SCHEMBL20663321 | 0.69 | L3MBTL1 (0.34) | — | |
| SCHEMBL7955999 | 0.62 | — | — | |
| SCHEMBL21051557 | 0.62 | HDAC4 (0.33) | — | |
| SCHEMBL19743464 | 0.62 | HDAC4 (0.33) | — | |
| SCHEMBL21051555 | 0.62 | HDAC4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110177551-B | Heterocyclic modulators of lipid synthesis | 3-V生物科学股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-111393434-B | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2022-11-04 | — | — | CN | disclosed |