⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5713387 | 0.77 | NOS1 (0.33) | — | |
| SCHEMBL27709108 | 0.72 | — | — | |
| SCHEMBL27947041 | 0.72 | — | — | |
| SCHEMBL126472 | 0.72 | — | — | |
| SCHEMBL596295 | 0.72 | — | — | |
| SCHEMBL298218 | 0.72 | — | — | |
| SCHEMBL8833055 | 0.72 | — | — | |
| SCHEMBL6008568 | 0.72 | — | — | |
| SCHEMBL13558399 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28755168 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102770415-B | Polycyclic compounds as lysophosphatidic acid receptor antagonists | AMIRA PHARMACEUTICALS INC | 2014-09-24 | — | — | CN | disclosed |
| CN-102803237-B | Oxazole and thiazole derivatives as alx receptor agonists | ACTELION PHARMACEUTICALS LTD | 2014-09-24 | — | — | CN | disclosed |