⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15119976 | 0.84 | CYP3A4 (0.47) | — | |
| SCHEMBL12892326 | 0.72 | CYP3A4 (0.44) | — | |
| SCHEMBL8764940 | 0.71 | PDE4A (0.31) | — | |
| SCHEMBL10000321 | 0.71 | PDE4A (0.32) | — | |
| SCHEMBL12892324 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL18099428 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL15959558 | 0.70 | — | — | |
| SCHEMBL10015809 | 0.68 | PDE4A (0.33) | — | |
| SCHEMBL22800602 | 0.68 | TP53 (0.56) | — | |
| SCHEMBL16046844 | 0.68 | CYP3A4 (0.43) | — |
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-8124715-B2 | Isocyanuric ring-containing polysiloxane having vinyl groups at the terminals | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-02-28 | — | — | US | disclosed |
| US-20110105713-A1 | ISOCYANURIC RING-CONTAINING POLYSILOXANE HAVING VINYL GROUPS AT THE TERMINALS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-05-05 | — | — | US | disclosed |