⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27803378 | 0.97 | — | — | |
| SCHEMBL27343756 | 0.97 | — | — | |
| SCHEMBL5393737 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5385520 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5381828 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5389662 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5393504 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5384905 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5392562 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL5404477 | 0.84 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104558029-B | A kind of method of double; two (dicyclohexylphosphontetrafluoroborate) alkane of synthesis | 河南省科学院化学研究所有限公司 | 2016-07-06 | — | — | CN | disclosed |