⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970716 | 0.84 | CASR (0.34) | — | |
| Naphthalene SCHEMBL6703761 | 0.81 | — | — | |
| SCHEMBL966284 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL968046 | 0.75 | SLC13A5 (0.41) | — | |
| SCHEMBL968045 | 0.75 | SLC13A5 (0.41) | — | |
| SCHEMBL5183089 | 0.75 | MAPK1 (0.34) | — | |
| SCHEMBL6839395 | 0.74 | SSTR4 (0.33) | — | |
| SCHEMBL6844412 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL22995153 | 0.69 | — | — | |
| SCHEMBL12017833 | 0.66 | CA1 (0.59) | — |
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-7872045-B2 | Treating ocular hypertension, glaucoma, by administering prostaglandin derivatives such as {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-(hydroxy)-5-(naphthyl)pent-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid methyl ester | ALLERGAN, INC. (US) | 2011-01-18 | — | — | US | disclosed |
| EP-1395263-B1 | 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | ALLERGAN INC (US) | 2009-12-30 | — | — | EP | disclosed |
| US-6956057-B2 | EP4 agonists as agents for lowering intraocular pressure | ALLERGAN, INC. (US) | 2005-10-18 | — | — | US | disclosed |
| US-20050222094-A1 | Treatment of inflammatory bowel disease | ALLERGAN, INC. | 2005-10-06 | — | — | US | disclosed |
| US-20050209194-A1 | Combination therapy for glaucoma treatment | ALLERGAN, INC. | 2005-09-22 | — | — | US | disclosed |
| US-6538018-B1 | Method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound | ALLERGAN, INC. | 2003-03-25 | — | — | US | disclosed |