⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1191256 | 0.72 | ALDH1A1 (0.63) | — | |
| SCHEMBL283475 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL9640 | 0.69 | — | — | |
| SCHEMBL2785008 | 0.69 | — | — | |
| SCHEMBL97330 | 0.69 | — | — | |
| SCHEMBL1193 | 0.69 | — | — | |
| SCHEMBL11413876 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8997513 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL1446350 | 0.67 | — | — | |
| SCHEMBL5016903 | 0.67 | — | — |
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-4145352-A | SULFACTIVE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-20 | — | — | US | disclosed |