⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7603608 | 0.82 | SLC6A3 (0.31) | — | |
| SCHEMBL7458357 | 0.76 | CHRNA1 (0.33) | — | |
| SCHEMBL7466063 | 0.73 | CXCR2 (0.33) | — | |
| SCHEMBL7461506 | 0.73 | HRH4 (0.32) | — | |
| SCHEMBL3949252 | 0.71 | ESR1 (0.34) | — | |
| SCHEMBL3949255 | 0.71 | ESR1 (0.34) | — | |
| SCHEMBL7465006 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL27850292 | 0.69 | TYR (0.36) | — | |
| SCHEMBL8501653 | 0.68 | MEN1 (0.37) | — | |
| SCHEMBL22159396 | 0.68 | ESR1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020172652-A1 | Composition for film formation and material for insulating film formation | JSR CORPORATION (JP) | 2002-11-21 | — | — | US | disclosed |