⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245348 | 0.74 | — | — | |
| SCHEMBL7872826 | 0.73 | — | — | |
| SCHEMBL7771005 | 0.72 | — | — | |
| SCHEMBL9063716 | 0.72 | — | — | |
| SCHEMBL8463868 | 0.72 | — | — | |
| SCHEMBL9559467 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28180011 | 0.69 | — | — | |
| Trichloroethane SCHEMBL11235795 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL13675950 | 0.69 | — | — | |
| SCHEMBL9861666 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0088050-A2 | Coloured photo-hardenable composition | CIBA-GEIGY AG (CH) | 1983-09-07 | — | — | EP | disclosed |