⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4451339 | 1.00 | — | — | |
| SCHEMBL1451307 | 0.87 | HCAR2 (0.48) | — | |
| SCHEMBL1451306 | 0.87 | HCAR2 (0.48) | — | |
| SCHEMBL10802267 | 0.85 | HCAR2 (0.46) | — | |
| SCHEMBL10962241 | 0.84 | HCAR2 (0.44) | — | |
| SCHEMBL11076851 | 0.84 | HCAR2 (0.44) | — | |
| SCHEMBL24861049 | 0.83 | HCAR2 (0.48) | — | |
| SCHEMBL25768 | 0.81 | — | — | |
| SCHEMBL25769 | 0.81 | — | — | |
| SCHEMBL29626505 | 0.81 | HCAR2 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090326019-A1 | 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS | ENANTA PHARMACEUTICALS, INC. | 2009-12-31 | — | — | US | disclosed |
| US-4092427-A | ANTICOAGULANTS, OXYTOCICS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-30 | — | — | US | disclosed |
| US-4048328-A | HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-09-13 | — | — | US | disclosed |
| US-4007171-A | PROSTAGLANDIN | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-02-08 | — | — | US | disclosed |
| US-3987081-A | ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |