⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20402710 | 0.84 | — | — | |
| SCHEMBL434958 | 0.82 | — | — | |
| SCHEMBL2815 | 0.82 | — | — | |
| SCHEMBL10871026 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL6799285 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.82 | — | — | |
| Ethylene SCHEMBL1276812 | 0.76 | — | — | |
| Fluoride SCHEMBL22230299 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL21525415 | 0.76 | — | — | |
| Charcoal, Activated SCHEMBL4873756 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2230292-B1 | Methods of lubricating transmissions | AFTON CHEMICAL CORP (US) | 2011-10-05 | — | — | EP | claimed |
| EP-1529831-B1 | Lubricant compositions for power transmitting fluids | AFTON CHEMICAL CORP (US) | 2010-05-26 | — | — | EP | claimed |
| WO-2021129583-A1 | POLYMER ELECTROLYTE, AND LITHIUM ION BATTERY COMPRISING SAME | 珠海冠宇电池股份有限公司 | 2021-07-01 | — | — | WO | disclosed |