⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381034 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL4942828 | 0.78 | HRH3 (0.32) | — | |
| SCHEMBL2505958 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL2506094 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL2505073 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL2500032 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL2504079 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL8094860 | 0.74 | HRH3 (0.35) | — | |
| SCHEMBL2500135 | 0.71 | CARM1 (0.30) | — | |
| SCHEMBL8096866 | 0.70 | PSMB1 (0.37) | — |
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-0700951-B1 | Polyorganosiloxane and process for producing the same | SHOWA DENKO KK (JP) | 2000-12-27 | — | — | EP | disclosed |
| EP-0700951-A1 | Polyorganosiloxane and process for producing the same | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1996-03-13 | — | — | EP | disclosed |
| US-5491203-A | COMPRISES POLYSILSESQUIOXANE STRUCTURE; HAS METHYL GROUP AND A REACTIVE GROUP ON SIDE CHAINS; SUITABLE AS POLYMER MODIFIER; CROSSLINKING; COATINGS | SHOWA DENKO K. K. (JP) | 1996-02-13 | — | — | US | disclosed |