⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7278511 | 0.93 | MAPT (0.37) | — | |
| SCHEMBL7279050 | 0.91 | MAPT (0.40) | — | |
| SCHEMBL7279044 | 0.84 | — | — | |
| SCHEMBL28592524 | 0.78 | ALOX15 (0.55) | — | |
| SCHEMBL14323909 | 0.75 | — | — | |
| SCHEMBL13594582 | 0.74 | — | — | |
| SCHEMBL8078444 | 0.74 | KMT2A (0.50) | — | |
| SCHEMBL11131196 | 0.74 | KMT2A (0.50) | — | |
| SCHEMBL3090446 | 0.73 | KMT2A (0.64) | — | |
| SCHEMBL3050478 | 0.73 | KMT2A (0.64) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |