⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10788942 | 0.74 | — | — | |
| SCHEMBL9763428 | 0.67 | BACE1 (0.38) | — | |
| SCHEMBL15741749 | 0.65 | — | — | |
| SCHEMBL8526909 | 0.65 | — | — | |
| SCHEMBL9743198 | 0.64 | — | — | |
| SCHEMBL19181459 | 0.61 | EEF2K (0.43) | — | |
| SCHEMBL11280713 | 0.61 | — | — | |
| SCHEMBL420160 | 0.61 | — | — | |
| SCHEMBL11298475 | 0.58 | TSHR (0.31) | — | |
| SCHEMBL10761988 | 0.58 | — | — |
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-6177500-B1 | CONTAINING A P-OXYBENZOYL UNIT (A) AND A 4'-OXYBIPHENYL-4-CARBONYL UNIT (B) AND 1 TO 400 PARTS BY WEIGHT OF AN INORGANIC FILLER. | SUMITOMO CEMICAL COMPANY, LIMITED (JP) | 2001-01-23 | — | — | US | disclosed |