⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4379709 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL15353083 | 0.73 | CA1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL27647645 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL1345692 | 0.71 | — | — | |
| SCHEMBL17902644 | 0.69 | — | — | |
| SCHEMBL8394007 | 0.69 | — | — | |
| SCHEMBL30709663 | 0.67 | MMP2 (0.34) | — | |
| SCHEMBL20004804 | 0.67 | CA14 (0.34) | — | |
| SCHEMBL19419158 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL4163231 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2940008-A1 | NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Sanwa Kagaku Kenkyusho Co., Ltd (JP) | 2015-11-04 | — | — | EP | disclosed |