⚠ 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL28967767 | 0.86 | — | — | |
| Butyric Acid SCHEMBL27771358 | 0.86 | — | — | |
| Succinic Acid SCHEMBL8731615 | 0.83 | LMNA (0.60) | — | |
| Butyric Acid SCHEMBL11233287 | 0.83 | — | — | |
| Butyric Acid SCHEMBL104208 | 0.83 | — | — | |
| Butyric Acid SCHEMBL17136011 | 0.83 | FFAR3 (0.87) | — | |
| Butyric Acid SCHEMBL31322063 | 0.83 | FFAR3 (0.87) | — | |
| Butyric Acid SCHEMBL1332215 | 0.83 | — | — | |
| Butyric Acid SCHEMBL991717 | 0.83 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL8457839 | 0.83 | FFAR3 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105820833-B | A kind of combined crude oil demulsifier and preparation method thereof | 中国海洋石油总公司 | 2017-08-25 | — | — | CN | claimed |
| CN-105820833-B | A kind of combined crude oil demulsifier and preparation method thereof | 中国海洋石油总公司 | 2017-08-25 | — | — | CN | disclosed |
| CN-105820833-B | A kind of combined crude oil demulsifier and preparation method thereof | 中国海洋石油总公司 | 2017-08-25 | — | — | CN | disclosed |
| CN-105820833-A | Combined crude oil demulsifying agent and preparation method thereof | 中国海洋石油总公司 | 2016-08-03 | — | — | CN | disclosed |