⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1189123 | 1.00 | — | — | |
| SCHEMBL31982 | 1.00 | — | — | |
| Methylamine SCHEMBL27857388 | 0.95 | GAPDH (0.36) | — | |
| SCHEMBL5674870 | 0.87 | GAPDH (0.34) | — | |
| SCHEMBL580295 | 0.87 | GAPDH (0.34) | — | |
| Biphenyl SCHEMBL27574943 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL7194481 | 0.81 | — | — | |
| SCHEMBL1301974 | 0.78 | — | — | |
| SCHEMBL2582181 | 0.78 | — | — | |
| SCHEMBL1785890 | 0.78 | PTPN1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104471068-A | Modified microorganism and method for producing butadiene using the same | BRASKEM SA | 2015-03-25 | — | — | CN | claimed |
| CN-106795536-A | Methods, reagents and cells for biosynthesis of compounds | 英威达技术有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106795537-A | Methods, reagents and cells for biosynthesis of compounds | 英威达技术有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105073996-A | Methods of producing 7-carbon chemicals via CoA-dependent carbon chain elongation associated with carbon storage | INVISTA TECH SARL | 2015-11-18 | — | — | CN | disclosed |
| CN-104471068-A | Modified microorganism and method for producing butadiene using the same | BRASKEM SA | 2015-03-25 | — | — | CN | disclosed |