⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058705 | 0.77 | — | — | |
| SCHEMBL9331844 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL8853222 | 0.72 | FAAH (0.33) | — | |
| Silicate SCHEMBL727212 | 0.72 | LPAR1 (0.31) | — | |
| SCHEMBL9252237 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL27777818 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL613353 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL2432236 | 0.58 | LPAR2 (0.30) | — | |
| SCHEMBL8051811 | 0.58 | LPAR2 (0.30) | — | |
| SCHEMBL8992206 | 0.57 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0548860-B1 | Organopolysiloxane composition for the formation of a cured release film | DOW CORNING TORAY SILICONE (JP) | 1996-05-01 | — | — | EP | disclosed |
| EP-0548860-A1 | Organopolysiloxane composition for the formation of a cured release film | Dow Corning Toray Silicone Company, Limited (JP) | 1993-06-30 | — | — | EP | disclosed |