⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8995402 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL8083736 | 0.76 | — | — | |
| SCHEMBL28469802 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL8995379 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL2101357 | 0.73 | — | — | |
| SCHEMBL28869458 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL2101321 | 0.69 | — | — | |
| SCHEMBL6746517 | 0.69 | — | — | |
| SCHEMBL2101196 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL17935670 | 0.65 | ALDH1A1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6699956-B2 | ORGANOPOLYSILOXANE CONTAINING A CYANOALKYL GROUP AND A MONOVALENT HYDROCARBON GROUP HAVING AN ALIPHATIC UNSATURATED BOND, ORGANOHYDROGENPOLYSILOXANE CONTAINING A CYANOALKYL GROUP, PLATINUM GROUP METAL CATALYST | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20020198319-A1 | Highly dielectric addition type curable compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-12-26 | — | — | US | disclosed |
| EP-0319883-B1 | A film capacitor | SHINETSU CHEMICAL CO (JP) | 1994-03-23 | — | — | EP | disclosed |
| US-4843517-A | DIELECTRIC FILM FORMED FROM A CYANOALKYL-CONTAINING POLYSILOXANE; NO MOISTURE ABSORPTION; HEAT RESISTANCE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1989-06-27 | — | — | US | disclosed |