⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8472169 | 0.87 | — | — | |
| SCHEMBL4719324 | 0.78 | — | — | |
| SCHEMBL27874420 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL92832 | 0.75 | MEN1 (0.36) | — | |
| SCHEMBL11979591 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL7023074 | 0.74 | — | — | |
| SCHEMBL724276 | 0.74 | — | — | |
| SCHEMBL13768228 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL13963033 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL7987882 | 0.72 | HPGD (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897629-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100168189-A1 | THERAPEUTIC SUBSTITUTED LACTAMS | ALLERGAN, INC. | 2010-07-01 | — | — | US | disclosed |
| US-20090247594-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-10-01 | — | — | US | disclosed |
| EP-1581523-B1 | PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7576112-B2 | Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives | ALLERGAN, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-20090016981-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-01-15 | — | — | US | disclosed |
| US-20080058387-A1 | 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts | ALLERGAN, INC. | 2008-03-06 | — | — | US | disclosed |