⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11391082 | 0.79 | BCAT2 (0.39) | — | |
| SCHEMBL6120558 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL10419796 | 0.75 | — | — | |
| SCHEMBL12461756 | 0.74 | BCAT2 (0.48) | — | |
| SCHEMBL5002095 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11313649 | 0.74 | BCAT2 (0.43) | — | |
| SCHEMBL19211623 | 0.74 | — | — | |
| SCHEMBL538750 | 0.74 | — | — | |
| SCHEMBL11792284 | 0.72 | — | — | |
| SCHEMBL6397432 | 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 |
|---|---|---|---|---|---|---|---|
| JP-1075485-A | — | — | None | — | — | JP | disclosed |
| US-6010253-A | Film packet | EASTMAN KODAK COMPANY (US) | 2000-01-04 | — | — | US | disclosed |
| JP-S6475485-A | BISNITROUREA DERIVATIVE AND ANTITUMOR AGENT | HOKKO CHEM IND CO | 1989-03-22 | — | — | JP | disclosed |