⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4601286 | 0.84 | — | — | |
| SCHEMBL2815 | 0.82 | — | — | |
| SCHEMBL437564 | 0.82 | — | — | |
| SCHEMBL10871026 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL6799285 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.82 | — | — | |
| SCHEMBL2684672 | 0.78 | — | — | |
| SCHEMBL15668095 | 0.78 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL17419363 | 0.76 | — | — | |
| Fluoride SCHEMBL22230299 | 0.76 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109923699-A | Negative electrode for lithium ion battery and lithium ion battery | 日产自动车株式会社 | 2019-06-21 | — | — | CN | disclosed |
| US-5530127-A | AMINATION OF PRIMARY OR SECONDARY ALCOHOL IN PRESENCE OF ZIRCONIUM/COPPER/NICKEL OXIDE CATALYST, ALSO CONTAINING MOLYBDENUM AND POSSIBLE ALUMINUM AND MANGANESE | BASF AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |