⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28816092 | 0.97 | TSHR (0.56) | — | |
| SCHEMBL1214198 | 0.97 | — | — | |
| SCHEMBL2983907 | 0.97 | — | — | |
| SCHEMBL26183 | 0.97 | — | — | |
| Acetone SCHEMBL28887361 | 0.95 | TSHR (0.54) | — | |
| Methane SCHEMBL28800922 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL10882192 | 0.95 | — | — | |
| SCHEMBL29022894 | 0.95 | — | — | |
| SCHEMBL28228338 | 0.95 | — | — | |
| Propane SCHEMBL28212603 | 0.95 | TSHR (0.54) | — |
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-103937352-B | Esters solvent environment-friendly thermoplastic acrylic coating and preparation method thereof | YU YUAN (CN) | 2015-12-30 | — | — | CN | disclosed |