⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29950014 | 0.98 | — | — | |
| SCHEMBL1470940 | 0.90 | ALOX15 (0.32) | — | |
| SCHEMBL5579 | 0.79 | — | — | |
| SCHEMBL28021704 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL23014710 | 0.78 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL1958678 | 0.77 | — | — | |
| SCHEMBL23014793 | 0.76 | HTT (0.41) | — | |
| SCHEMBL26280522 | 0.76 | HTT (0.41) | — | |
| SCHEMBL3403009 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL9332388 | 0.73 | ALOX15 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868189-A | ANTICANCER AGENTS | SANWA KAGAKU KENKYUSHO CO. (JP) | 1989-09-19 | — | — | US | disclosed |
| EP-0280841-A2 | Organo-silicone compounds and use thereof | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1988-09-07 | — | — | EP | disclosed |