⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9553682 | 0.76 | — | — | |
| SCHEMBL358647 | 0.76 | — | — | |
| SCHEMBL11892701 | 0.76 | — | — | |
| SCHEMBL16068283 | 0.76 | — | — | |
| SCHEMBL7045074 | 0.72 | — | — | |
| SCHEMBL17868747 | 0.71 | — | — | |
| SCHEMBL5175178 | 0.71 | CYP1A2 (0.42) | — | |
| SCHEMBL5848314 | 0.70 | — | — | |
| SCHEMBL5263447 | 0.70 | — | — | |
| SCHEMBL916741 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102775365-A | Synthesis process for 5-amino-substitued-isoxazole compound or acid salt thereof | LNK BIO WUXI PHARMACEUTICALS CO LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-1447811-A | Medicinal compsns. and its use | TARGACEPT INC (US) | 2003-10-08 | — | — | CN | disclosed |
| US-4133888-A | Analgesic and morphine antagonistic 2'-hydroxy-2-(5-isoxazolyl-methyl)-6,7-benzomorphans and salts thereof | BOEHRINGER INGELHEIM GMBH (DE) | 1979-01-09 | — | — | US | disclosed |