⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51146 | 0.90 | — | — | |
| Butane SCHEMBL19927389 | 0.84 | — | — | |
| SCHEMBL9193242 | 0.82 | — | — | |
| SCHEMBL19927306 | 0.79 | LMNA (0.32) | — | |
| Butane SCHEMBL19926892 | 0.76 | — | — | |
| SCHEMBL20752 | 0.75 | — | — | |
| SCHEMBL9501082 | 0.75 | — | — | |
| Alcohol SCHEMBL11060248 | 0.73 | — | — | |
| SCHEMBL28410700 | 0.73 | — | — | |
| SCHEMBL7951920 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3004269-A1 | FLUOROALKYL SILICONES | 3M Innovative Properties Company (US) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014193654-A1 | FLUOROALKYL SILICONES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-12-04 | — | — | WO | disclosed |
| US-20110248312-A1 | SILICONE RESIN SHEET | NITTO DENKO CORPORATION (JP) | 2011-10-13 | — | — | US | disclosed |