⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22534495 | 0.83 | — | — | |
| SCHEMBL25250852 | 0.79 | OPRM1 (0.42) | — | |
| SCHEMBL22117280 | 0.79 | OPRM1 (0.42) | — | |
| SCHEMBL31298220 | 0.76 | THRB (0.35) | — | |
| Hydrochloric Acid SCHEMBL28455301 | 0.76 | — | — | |
| SCHEMBL821171 | 0.75 | — | — | |
| SCHEMBL3817802 | 0.74 | — | — | |
| SCHEMBL28024136 | 0.73 | — | — | |
| SCHEMBL21925178 | 0.72 | THRB (0.32) | — | |
| Methane SCHEMBL25432464 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102959004-B | Acrylic rubber composition, vulcanizate, hose part, and sealing part | DENKI KAGAKU KOGYO KK | 2015-06-17 | — | — | CN | disclosed |