⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9929 | 0.97 | — | — | |
| Water SCHEMBL9280962 | 0.94 | — | — | |
| SCHEMBL744340 | 0.94 | — | — | |
| Ethylene SCHEMBL28558573 | 0.94 | CYP3A4 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL438668 | 0.94 | — | — | |
| SCHEMBL175470 | 0.94 | — | — | |
| Methane SCHEMBL11128169 | 0.94 | — | — | |
| Ethylene SCHEMBL5541393 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL9501363 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27817815 | 0.94 | — | — |
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-6130347-A | REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |