⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14865773 | 0.94 | — | — | |
| SCHEMBL25558586 | 0.94 | — | — | |
| SCHEMBL961942 | 0.87 | PDE4A (0.31) | — | |
| SCHEMBL8764940 | 0.87 | PDE4A (0.31) | — | |
| SCHEMBL155052 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL3477096 | 0.81 | ADORA2B (0.31) | — | |
| SCHEMBL12892325 | 0.81 | PDE4A (0.33) | — | |
| SCHEMBL17264691 | 0.81 | — | — | |
| SCHEMBL18099427 | 0.80 | — | — | |
| SCHEMBL17341698 | 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 2 patents. 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 |
| US-20130096257-A1 | SILICONE RELEASE COATING COMPOSITION OF CONDENSATION REACTION CURING TYPE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |