⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4028733 | 0.81 | CTSC (0.31) | — | |
| SCHEMBL14160885 | 0.80 | — | — | |
| SCHEMBL2000021 | 0.80 | — | — | |
| SCHEMBL7246714 | 0.77 | — | — | |
| SCHEMBL6554388 | 0.72 | — | — | |
| SCHEMBL1633837 | 0.72 | — | — | |
| SCHEMBL7212491 | 0.70 | — | — | |
| SCHEMBL5250583 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL6781555 | 0.63 | HSD11B1 (0.33) | — | |
| SCHEMBL4028740 | 0.62 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193373-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-8193373-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-7960378-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960378-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2011-06-14 | — | — | US | disclosed |
| US-20100063303-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| US-20100063303-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| US-20090239930-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| US-20090239930-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| US-6586462-B2 | ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists | ALLERGAN, INC. | 2003-07-01 | — | — | US | disclosed |
| US-20020187961-A1 | Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists | ALLERGAN, INC. | 2002-12-12 | — | — | US | disclosed |