⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5051521 | 0.73 | — | — | |
| SCHEMBL22278147 | 0.67 | — | — | |
| SCHEMBL5536350 | 0.67 | — | — | |
| SCHEMBL15270133 | 0.67 | — | — | |
| SCHEMBL10895678 | 0.63 | — | — | |
| SCHEMBL22652947 | 0.62 | CA2 (0.31) | — | |
| SCHEMBL26776530 | 0.60 | — | — | |
| SCHEMBL4777736 | 0.59 | ALOX15 (0.59) | — | |
| SCHEMBL28196842 | 0.56 | — | — | |
| SCHEMBL19582144 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |