⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4952091 | 0.84 | — | — | |
| SCHEMBL9847811 | 0.80 | CYP2C19 (0.33) | — | |
| SCHEMBL10501895 | 0.79 | — | — | |
| SCHEMBL27709201 | 0.78 | OPRM1 (0.31) | — | |
| SCHEMBL789663 | 0.75 | — | — | |
| SCHEMBL27962115 | 0.74 | MMP2 (0.33) | — | |
| SCHEMBL19256103 | 0.73 | — | — | |
| SCHEMBL15894645 | 0.71 | — | — | |
| SCHEMBL9861672 | 0.71 | — | — | |
| SCHEMBL13383450 | 0.71 | — | — |
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-108191599-A | A kind of four-membered ring fuel molecule and its photochemical method for preparation | 天津大学 | 2018-06-22 | — | — | CN | claimed |
| CN-101448765-A | Process for the alkylation of a cycloalkene | SHELL INT RESEARCH (NL) | 2009-06-03 | — | — | CN | disclosed |
| CN-101228102-A | (alkylphenyl)alkylcyclohexane and method for producing (alkylphenyl)alkylcyclohexane or alkylbiphenyl | MITSUBISHI GAS CHEMICAL CO (JP) | 2008-07-23 | — | — | CN | disclosed |