⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30726698 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL30726731 | 0.76 | — | — | |
| SCHEMBL30726736 | 0.76 | — | — | |
| SCHEMBL30726769 | 0.69 | — | — | |
| SCHEMBL30726676 | 0.65 | — | — | |
| SCHEMBL30726753 | 0.60 | FDPS (0.34) | — | |
| SCHEMBL2950607 | 0.57 | NPC1 (0.36) | — | |
| SCHEMBL24414092 | 0.53 | RARG (0.41) | — | |
| SCHEMBL5002642 | 0.52 | HSD17B10 (0.47) | — | |
| SCHEMBL3636717 | 0.51 | TPMT (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023207921-A1 | TAXAMAIRIN ANALOGS AND METHODS OF PREPARATION AND USE THEREOF | HONG KONG BAPTIST UNIVERSITY (CN) | 2023-11-02 | — | — | WO | disclosed |