⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2783701 | 0.73 | — | — | |
| SCHEMBL703210 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL118540 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL703367 | 0.73 | — | — | |
| SCHEMBL6669960 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL9622609 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL4631055 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL10607277 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL11017960 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL24624087 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105199105-A | Method for preparing phenyl silicone oil with fluorine | GUANGZHOU RES INST NON FERROUS METALS | 2015-12-30 | — | — | CN | disclosed |
| EP-0417778-B1 | Polyimide compositions containing polyorganosiloxane for improving atomic oxygen resistance | DU PONT (US) | 1994-06-15 | — | — | EP | disclosed |
| US-5073607-A | POLYIMIDE COMPOSITIONS CONTAINING POLYORGANOSILOXANE FOR IMPROVING ATOMIC OXYGEN RESISTANCE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0417778-A1 | Polyimide compositions containing polyorganosiloxane for improving atomic oxygen resistance | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-03-20 | — | — | EP | disclosed |