⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11804196 | 1.00 | — | — | |
| SCHEMBL3937098 | 0.85 | MMP2 (0.33) | — | |
| SCHEMBL3937097 | 0.85 | MMP2 (0.33) | — | |
| E927A SCHEMBL26646 | 0.74 | — | — | |
| E927A SCHEMBL36851 | 0.74 | — | — | |
| E927A SCHEMBL11842709 | 0.74 | ALDH1A1 (1.00) | — | |
| E927A SCHEMBL5599354 | 0.74 | ALDH1A1 (1.00) | — | |
| E927A SCHEMBL9921280 | 0.74 | — | — | |
| SCHEMBL24649857 | 0.74 | — | — | |
| SCHEMBL6931783 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2254873-B1 | BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMA CO LTD (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-8664217-B2 | Benzodiazepine compound and pharmaceutical composition | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20130040941-A1 | BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. | 2013-02-14 | — | — | US | disclosed |
| US-8338406-B2 | Benzodiazepine compound and pharmaceutical composition | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-12-25 | — | — | US | disclosed |
| US-20100331317-A1 | BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-12-30 | — | — | US | disclosed |
| US-20080200535-A1 | sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt | ASAHI KASEI PHARMA CORPORATION (JP) | 2008-08-21 | — | — | US | disclosed |
| US-3940365-A | PHENOLIC ANTIOXIDANT AND AN UREA OR AN OXALIC ACID DIAMIDE OR AN AZODICARBOXYLIC AMIDE | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-02-24 | — | — | US | disclosed |