⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3872260 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL11784844 | 0.81 | — | — | |
| SCHEMBL13645540 | 0.78 | HSD17B10 (0.33) | — | |
| SCHEMBL13822405 | 0.78 | — | — | |
| SCHEMBL13822403 | 0.78 | — | — | |
| SCHEMBL758104 | 0.77 | — | — | |
| SCHEMBL32671318 | 0.76 | CYP2C19 (0.35) | — | |
| SCHEMBL11785408 | 0.74 | — | — | |
| SCHEMBL32671296 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL8861357 | 0.73 | HTT (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-1058274-B1 | Composition for film formation and material for insulating film formation | JSR CORP (JP) | 2005-07-27 | — | — | EP | disclosed |
| US-6376634-B1 | ORGANOSILICON POLYMERS | JSR CORPORATION (JP) | 2002-04-23 | — | — | US | disclosed |
| EP-1058274-A1 | Composition for film formation and material for insulating film formation | JSR Corporation (JP) | 2000-12-06 | — | — | EP | disclosed |