⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL18783170 | 0.81 | — | — | |
| SCHEMBL3474662 | 0.81 | — | — | |
| SCHEMBL3474665 | 0.81 | — | — | |
| Dichloropropane SCHEMBL26926449 | 0.79 | — | — | |
| Propene SCHEMBL11319992 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL11806930 | 0.79 | TSHR (0.33) | — | |
| Isobutane SCHEMBL28246156 | 0.76 | — | — | |
| Ethylene SCHEMBL6289485 | 0.76 | — | — | |
| Vinyl Chloride SCHEMBL21518336 | 0.76 | — | — | |
| Ethylene SCHEMBL5081601 | 0.76 | TSHR (0.35) | — |
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-107073833-A | The manufacture method of decorative panel | 理研科技株式会社 | 2017-08-18 | — | — | CN | disclosed |