⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22988 | 0.76 | — | — | |
| SCHEMBL29037934 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1444802 | 0.73 | — | — | |
| Bicarbonate SCHEMBL9717608 | 0.73 | LMNA (0.37) | — | |
| Ethylene SCHEMBL11309737 | 0.73 | — | — | |
| SCHEMBL49785 | 0.71 | — | — | |
| SCHEMBL1048120 | 0.71 | — | — | |
| SCHEMBL2097549 | 0.71 | — | — | |
| Acrylonitrile SCHEMBL28172202 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL176251 | 0.69 | TSHR (0.40) | — |
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-4234741-A | BENZENESELENYL HALIDE REACTANT, SELENIUM-CONTAINING INTERMEDIATES | FIRMENICH, S.A. (CH) | 1980-11-18 | — | — | US | disclosed |