⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8084369 | 0.83 | — | — | |
| SCHEMBL11748635 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL20637001 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL5681525 | 0.75 | — | — | |
| SCHEMBL8756300 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL11502617 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL6746517 | 0.71 | — | — | |
| SCHEMBL20637002 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL20636999 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL8073694 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0653446-B1 | Curable resin compositions | SHINETSU CHEMICAL CO (JP) | 1998-12-30 | — | — | EP | claimed |
| US-5516868-A | WEATHERABILITY, FLEXIBILITY, ADHERENCE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | claimed |
| EP-0653446-B1 | Curable resin compositions | SHINETSU CHEMICAL CO (JP) | 1998-12-30 | — | — | EP | disclosed |
| US-5516868-A | WEATHERABILITY, FLEXIBILITY, ADHERENCE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0653446-A1 | Vinyl copolymers, methods for making them, curable resin compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |
| US-4003847-A | FOR FOAMING POLYETHERURETHANES; CYANOALKYL POLYSILOXANE; POLYETHER SOLVENT | UNION CARBIDE CORPORATION (US) | 1977-01-18 | — | — | US | disclosed |
| US-3952038-A | CYANOALKYL MODIFIED SILOXANE FLUID | UNION CARBIDE CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |