⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1102010 | 1.00 | — | — | |
| SCHEMBL840910 | 0.87 | — | — | |
| SCHEMBL5962379 | 0.80 | — | — | |
| SCHEMBL1109594 | 0.78 | — | — | |
| SCHEMBL7906856 | 0.76 | — | — | |
| SCHEMBL18971795 | 0.73 | — | — | |
| SCHEMBL10211114 | 0.72 | — | — | |
| SCHEMBL840889 | 0.71 | — | — | |
| SCHEMBL1119906 | 0.70 | — | — | |
| SCHEMBL10225137 | 0.68 | MC4R (0.31) | — |
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-RE33907-E | Anti-spasmodic agents having a heterocyclic ring | UNITED PHARMACEUTICALS, INC. (US) | 1992-04-28 | — | — | US | claimed |
| US-4721783-A | SMOOTH MUSCLES | UNITED PHARMACEUTICALS, INC. (US) | 1988-01-26 | — | — | US | claimed |