⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11981890 | 0.98 | IDO1 (0.31) | — | |
| SCHEMBL11981965 | 0.95 | — | — | |
| SCHEMBL11981880 | 0.90 | — | — | |
| SCHEMBL20839289 | 0.78 | IDO1 (0.33) | — | |
| SCHEMBL7166749 | 0.78 | IDO1 (0.33) | — | |
| SCHEMBL8964887 | 0.76 | — | — | |
| SCHEMBL3376596 | 0.74 | EPHX1 (0.36) | — | |
| SCHEMBL11981982 | 0.74 | — | — | |
| SCHEMBL9637816 | 0.74 | SLC6A2 (0.32) | — | |
| SCHEMBL11981889 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1819670-B1 | 12-ARYL PROSTAGLANDIN ANALOGS | ALLERGAN INC (US) | 2012-08-08 | — | — | EP | disclosed |
| US-8063033-B2 | Therapeutic beta-lactams | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8044092-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2011-10-25 | — | — | US | disclosed |
| US-20100317872-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-7799821-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| US-7674786-B2 | Therapeutic β-lactams | ALLERGAN, INC. (US) | 2010-03-09 | — | — | US | disclosed |
| WO-2009091764-A2 | THERAPEUTIC BETA-LACTAMS | ALLERGAN, INC. (US) | 2009-07-23 | — | — | WO | disclosed |
| US-20090186866-A1 | THERAPEUTIC BETA-LACTAMS | ALLERGAN, INC. | 2009-07-23 | — | — | US | disclosed |
| US-20080113943-A1 | Therapeutic Beta-Lactams | ALLERGAN, INC. (US) | 2008-05-15 | — | — | US | disclosed |