⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9702836 | 0.91 | CYP2C19 (0.32) | — | |
| SCHEMBL558057 | 0.89 | CYP2C19 (0.33) | — | |
| SCHEMBL200047 | 0.87 | EPHX1 (0.35) | — | |
| SCHEMBL9165783 | 0.83 | — | — | |
| SCHEMBL5505409 | 0.83 | CA12 (0.46) | — | |
| SCHEMBL9701839 | 0.83 | CA12 (0.46) | — | |
| SCHEMBL20401716 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL18372174 | 0.83 | — | — | |
| SCHEMBL2407427 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL5664590 | 0.81 | TSHR (0.44) | — |
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-9096776-B2 | Silicone release coating composition of condensation reaction curing type | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-08-04 | — | — | US | disclosed |