⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30009983 | 0.78 | — | — | |
| SCHEMBL4364932 | 0.76 | — | — | |
| SCHEMBL28273533 | 0.74 | — | — | |
| SCHEMBL19703530 | 0.72 | DGAT1 (0.33) | — | |
| SCHEMBL17219825 | 0.72 | HCAR2 (0.39) | — | |
| SCHEMBL5496042 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL7146267 | 0.71 | — | — | |
| SCHEMBL17219226 | 0.69 | ALDH1A1 (0.52) | — | |
| SCHEMBL10239539 | 0.67 | — | — | |
| SCHEMBL1574222 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102976441-A | Method for improving backwashing drainage water quality of oilfield produced water filter | CHINA NAT PETROLEUM CORP | 2013-03-20 | — | — | CN | claimed |
| EP-0325289-A1 | Bleaching agents comprising imido-aromatic percarboxylic acids | AUSIMONT S.p.A. (IT) | 1989-07-26 | — | — | EP | claimed |
| CN-102976441-A | Method for improving backwashing drainage water quality of oilfield produced water filter | CHINA NAT PETROLEUM CORP | 2013-03-20 | — | — | CN | disclosed |