⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11106984 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL28877729 | 0.83 | TRPA1 (0.38) | — | |
| SCHEMBL10753300 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL10753305 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL1977301 | 0.78 | PPARG (0.33) | — | |
| SCHEMBL20989512 | 0.78 | — | — | |
| SCHEMBL10908883 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL10908881 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL28960231 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL11107499 | 0.76 | TRPA1 (0.36) | — |
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-0696585-B1 | NOVEL BISOXADIAZOLIDINE DERIVATIVE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5643931-A | ANTIDIABETIC AGENTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-07-01 | — | — | US | disclosed |
| EP-0696585-A1 | NOVEL BISOXADIAZOLIDINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |
| US-5039674-A | Calcium antagonistics | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-08-13 | — | — | US | disclosed |
| US-4782160-A | CALCIUM RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1988-11-01 | — | — | US | disclosed |
| EP-0276552-A1 | 1,4-dihydropyridine derivatives and their production | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-03 | — | — | EP | disclosed |
| EP-0016286-B1 | HYDROFORMYLATION PROCESS | DAVY McKEE (LONDON) LIMITED (GB) | 1983-04-06 | — | — | EP | disclosed |