⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1241816 | 0.79 | — | — | |
| SCHEMBL151133 | 0.79 | — | — | |
| SCHEMBL24753686 | 0.78 | — | — | |
| SCHEMBL3507009 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11240538 | 0.76 | — | — | |
| SCHEMBL11144102 | 0.76 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL1423725 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL1188228 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL28584833 | 0.76 | ALDH1A1 (0.47) | — | |
| Iodide SCHEMBL9422924 | 0.76 | TSHR (0.37) | — |
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-4133813-A | Cyclic nitrile carbonate-containing compounds | ATLANTIC RICHFIELD COMPANY (US) | 1979-01-09 | — | — | US | disclosed |