⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3282019 | 1.00 | — | — | |
| SCHEMBL3791483 | 0.91 | DDB1 (0.30) | — | |
| SCHEMBL211168 | 0.91 | DDB1 (0.30) | — | |
| SCHEMBL3794481 | 0.91 | DDB1 (0.30) | — | |
| SCHEMBL6484490 | 0.72 | SLC6A3 (0.31) | — | |
| SCHEMBL6529800 | 0.72 | SLC6A3 (0.31) | — | |
| SCHEMBL5787963 | 0.72 | SLC6A3 (0.31) | — | |
| SCHEMBL95266 | 0.71 | SLC6A3 (0.36) | — | |
| SCHEMBL1769365 | 0.71 | DDB1 (0.34) | — | |
| SCHEMBL1149960 | 0.71 | DDB1 (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1631355-B1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | ALLERGAN INC (US) | 2014-08-13 | — | — | EP | disclosed |
| EP-1817033-B1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN INC (US) | 2009-11-18 | — | — | EP | disclosed |
| US-7326716-B2 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2008-02-05 | — | — | US | disclosed |
| EP-1817033-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | Allergan, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| US-7179820-B2 | Piperidinyl prostaglandin E analogs | ALLERGAN, INC. (US) | 2007-02-20 | — | — | US | disclosed |
| WO-2006058080-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. (US) | 2006-06-01 | — | — | WO | disclosed |
| EP-1631355-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | Allergan, Inc. (US) | 2006-03-08 | — | — | EP | disclosed |
| US-20050171062-A1 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2005-08-04 | — | — | US | disclosed |
| WO-2004108215-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | ALLERGAN, INC. (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040248854-A1 | Piperidinyl prostaglandin E analogs | ALLERGAN, INC. | 2004-12-09 | — | — | US | disclosed |
| US-6747037-B1 | TREATING OCULAR HYPERTENSION OR GLAUCOMA; REDUCED SIDE EFFECTS | ALLERGAN, INC. | 2004-06-08 | — | — | US | disclosed |