⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24521726 | 0.70 | — | — | |
| SCHEMBL23183165 | 0.70 | — | — | |
| SCHEMBL24119275 | 0.70 | — | — | |
| SCHEMBL10253532 | 0.60 | — | — | |
| SCHEMBL16128048 | 0.60 | — | — | |
| SCHEMBL24611471 | 0.58 | — | — | |
| SCHEMBL634944 | 0.47 | — | — | |
| SCHEMBL14076040 | 0.45 | — | — | |
| SCHEMBL24061655 | 0.45 | — | — | |
| SCHEMBL30350024 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230144197-A1 | 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE | Carrick Therapeutics Limited (IE) | 2023-05-11 | — | — | US | disclosed |
| WO-2007120599-A2 | DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | WYETH (US) | 2007-10-25 | — | — | WO | disclosed |