⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6799285 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.93 | — | — | |
| SCHEMBL2815 | 0.93 | — | — | |
| SCHEMBL437564 | 0.93 | — | — | |
| SCHEMBL10871026 | 0.93 | ALDH1A1 (0.46) | — | |
| Isobutane SCHEMBL9578989 | 0.88 | ALDH1A1 (0.36) | — | |
| Isobutane SCHEMBL2052169 | 0.88 | — | — | |
| Ethylene SCHEMBL1276812 | 0.86 | — | — | |
| SCHEMBL9864905 | 0.86 | — | — | |
| Fluoride SCHEMBL22230299 | 0.86 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110526886-A | A method of synthesis 1- oxo -1,3- dihydro-3-hydroxy benzofuran -5- formic acid | UNIV XINZHOU TEACHERS | 2019-12-03 | — | — | CN | claimed |
| CN-105884807-A | Pinacol borate derivative preparation method and thioacetate compound preparation method | 昆药集团股份有限公司 | 2016-08-24 | — | — | CN | claimed |
| CN-110526886-A | A method of synthesis 1- oxo -1,3- dihydro-3-hydroxy benzofuran -5- formic acid | UNIV XINZHOU TEACHERS | 2019-12-03 | — | — | CN | disclosed |
| CN-105884807-A | Pinacol borate derivative preparation method and thioacetate compound preparation method | 昆药集团股份有限公司 | 2016-08-24 | — | — | CN | disclosed |