⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4508 | 0.95 | — | — | |
| SCHEMBL10616165 | 0.90 | — | — | |
| SCHEMBL1196406 | 0.90 | — | — | |
| SCHEMBL2368627 | 0.73 | — | — | |
| Alcohol SCHEMBL2347460 | 0.67 | — | — | |
| SCHEMBL60558 | 0.64 | — | — | |
| SCHEMBL10337589 | 0.64 | — | — | |
| Ethylene Glycol SCHEMBL28219620 | 0.63 | — | — | |
| SCHEMBL36356 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL995681 | 0.60 | — | — |
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-103961901-B | Method for removing long-chain carboxylate and hydrocarbon in alcohol amine solution | PETROCHINA COMPANY LIMITED (CN) | 2016-04-06 | — | — | CN | disclosed |
| CN-103961901-A | Method for removing long-chain carboxylate and hydrocarbon in alcohol amine solution | PETROCHINA CO LTD | 2014-08-06 | — | — | CN | disclosed |