⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8962370 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL8967898 | 0.97 | — | — | |
| Hypochlorous Acid SCHEMBL19616844 | 0.93 | — | — | |
| Sulfuric Acid SCHEMBL31256519 | 0.87 | — | — | |
| SCHEMBL10355850 | 0.85 | — | — | |
| SCHEMBL8429300 | 0.80 | ADRA2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL2905354 | 0.78 | — | — | |
| SCHEMBL9814327 | 0.73 | GNAI3 (0.37) | — | |
| SCHEMBL11250645 | 0.73 | GNAI3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL7537622 | 0.72 | GNAI3 (0.40) | — |
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 6 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-4857535-A | THIOESTERS | UNITED PHARMACEUTICALS (US) | 1989-08-15 | — | — | US | claimed |
| US-4721783-A | SMOOTH MUSCLES | UNITED PHARMACEUTICALS, INC. (US) | 1988-01-26 | — | — | US | claimed |
| US-RE33907-E | Anti-spasmodic agents having a heterocyclic ring | UNITED PHARMACEUTICALS, INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-4857535-A | THIOESTERS | UNITED PHARMACEUTICALS (US) | 1989-08-15 | — | — | US | disclosed |
| US-4721783-A | SMOOTH MUSCLES | UNITED PHARMACEUTICALS, INC. (US) | 1988-01-26 | — | — | US | disclosed |