⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28744000 | 1.00 | OPRM1 (0.60) | — | |
| Hexane SCHEMBL16244743 | 0.97 | OPRM1 (0.63) | — | |
| SCHEMBL27976138 | 0.97 | OPRM1 (0.63) | — | |
| SCHEMBL29533 | 0.97 | — | — | |
| SCHEMBL20603566 | 0.94 | OPRM1 (0.60) | — | |
| SCHEMBL20603567 | 0.94 | OPRM1 (0.60) | — | |
| SCHEMBL20603560 | 0.94 | OPRM1 (0.60) | — | |
| SCHEMBL20603555 | 0.94 | OPRM1 (0.60) | — | |
| SCHEMBL20603558 | 0.94 | OPRM1 (0.60) | — | |
| SCHEMBL20603553 | 0.94 | OPRM1 (0.60) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101092729-A | Electrolytic degreasing powder for surface treatment of steel material and preparation method thereof | DEMEI CHEMICAL CO LTD (CN) | 2007-12-26 | — | — | CN | claimed |