⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24806756 | 0.83 | CYP2C19 (0.50) | — | |
| SCHEMBL6236876 | 0.83 | CYP2C19 (0.47) | — | |
| SCHEMBL20641952 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL2231058 | 0.82 | — | — | |
| SCHEMBL3797316 | 0.80 | CYP2C19 (0.45) | — | |
| SCHEMBL5932913 | 0.80 | CYP2C19 (0.53) | — | |
| SCHEMBL18364665 | 0.80 | MEN1 (0.52) | — | |
| SCHEMBL17029461 | 0.80 | MEN1 (0.52) | — | |
| SCHEMBL15264130 | 0.80 | MEN1 (0.52) | — | |
| Dimethylamine SCHEMBL7124815 | 0.78 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160160093-A1 | BONDING OR VULCANISATION COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2016-06-09 | — | — | US | disclosed |