⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3683688 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL186352 | 0.77 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL7917304 | 0.77 | — | — | |
| SCHEMBL26948675 | 0.72 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL69958 | 0.71 | ESR1 (0.32) | — | |
| SCHEMBL1644921 | 0.71 | — | — | |
| SCHEMBL8617027 | 0.70 | THRB (0.30) | — | |
| SCHEMBL8416053 | 0.70 | THRB (0.30) | — | |
| SCHEMBL8618193 | 0.70 | THRB (0.30) | — | |
| SCHEMBL8613268 | 0.70 | THRB (0.30) | — |
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-6217995-B1 | TRANSPARENT POLYCARBONATE OR POLYESTERCARABONATE CONTAINING CYCLIC ALIPHATIC GROUP, HAVING A VISIBLE LIGHT TRANSMITTANCE MORE THAN 80% AND A GLASS TRANSITION TEMPERATURE LESS THAN 80 DEGREE C. EXHIBIT BIREFRINGENCE INDEX LESS THAN 15 NM | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-04-17 | — | — | US | disclosed |