⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10344919 | 0.98 | — | — | |
| SCHEMBL5168155 | 0.91 | — | — | |
| SCHEMBL9473297 | 0.83 | — | — | |
| SCHEMBL9473798 | 0.83 | — | — | |
| SCHEMBL1498091 | 0.81 | — | — | |
| SCHEMBL21069189 | 0.81 | — | — | |
| SCHEMBL9473831 | 0.81 | — | — | |
| SCHEMBL15301277 | 0.80 | — | — | |
| SCHEMBL29691410 | 0.78 | CES2 (0.41) | — | |
| SCHEMBL29760638 | 0.78 | CES2 (0.41) | — |
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-0113127-B1 | PROCESS FOR PREPARING DIORGANOPOLYSILOXANE CONTAINING FLUOROALKYL GROUPS | Wacker-Chemie GmbH (DE) | 1990-03-07 | — | — | EP | disclosed |
| US-4577040-A | Method for preparing diorganopolysiloxanes containing fluoroalkyl groups | WACKER-CHEMIE GMBH (DE) | 1986-03-18 | — | — | US | disclosed |
| EP-0113127-A2 | Process for preparing diorganopolysiloxane containing fluoroalkyl groups | Wacker-Chemie GmbH (DE) | 1984-07-11 | — | — | EP | disclosed |