⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21753524 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL11869460 | 0.73 | CYP3A4 (0.33) | — | |
| SCHEMBL1493619 | 0.69 | TSHR (0.53) | — | |
| SCHEMBL6429958 | 0.66 | TSHR (0.49) | — | |
| SCHEMBL5586542 | 0.65 | PTPN1 (0.31) | — | |
| SCHEMBL10710425 | 0.65 | CYP3A4 (0.38) | — | |
| SCHEMBL11869450 | 0.63 | PYGM (0.33) | — | |
| SCHEMBL22092555 | 0.62 | LDHA (0.33) | — | |
| SCHEMBL5134555 | 0.62 | — | — | |
| SCHEMBL21753502 | 0.61 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3985758-A | 1,4-Dihydropyridine derivatives | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1976-10-12 | — | — | US | disclosed |