⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2177 | 0.82 | — | — | |
| SCHEMBL51392 | 0.72 | — | — | |
| SCHEMBL1221868 | 0.72 | — | — | |
| SCHEMBL33041 | 0.70 | — | — | |
| SCHEMBL5523839 | 0.70 | — | — | |
| Benzene SCHEMBL8002830 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL7102163 | 0.68 | — | — | |
| SCHEMBL1221778 | 0.68 | LMNA (0.32) | — | |
| SCHEMBL29274304 | 0.68 | — | — | |
| SCHEMBL18748274 | 0.68 | — | — |
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-4465786-A | CALCIUM OXYFLUORIDE CATALYST | GENERAL ELECTRIC COMPANY (US) | 1984-08-14 | — | — | US | disclosed |