⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28268530 | 0.84 | — | — | |
| Propene SCHEMBL9308404 | 0.84 | — | — | |
| Propene SCHEMBL1615358 | 0.84 | TSHR (0.40) | — | |
| Propene SCHEMBL16401493 | 0.84 | — | — | |
| Propene SCHEMBL241947 | 0.84 | — | — | |
| Propene SCHEMBL27863395 | 0.84 | TSHR (0.40) | — | |
| Propene SCHEMBL28199909 | 0.84 | — | — | |
| Propene SCHEMBL7560605 | 0.80 | — | — | |
| Butane SCHEMBL3619323 | 0.80 | — | — | |
| Propene SCHEMBL10795836 | 0.80 | — | — |
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-107683130-A | Implant and application method including oxygen sterol | 华沙整形外科股份有限公司 | 2018-02-09 | — | — | CN | disclosed |