⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19584847 | 0.74 | — | — | |
| SCHEMBL166454 | 0.74 | — | — | |
| SCHEMBL9315437 | 0.74 | — | — | |
| SCHEMBL6692736 | 0.74 | — | — | |
| SCHEMBL27687487 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL800923 | 0.73 | — | — | |
| SCHEMBL19296381 | 0.73 | — | — | |
| SCHEMBL2430808 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL6577704 | 0.72 | — | — | |
| SCHEMBL628752 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |
| US-20230400766-A1 | ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-12-14 | — | — | US | disclosed |
| EP-0174071-A2 | Dihydropyridine derivatives and their production, formulation and use as pharmaceuticals | FISONS plc (GB) | 1986-03-12 | — | — | EP | disclosed |