⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28370890 | 0.93 | — | — | |
| SCHEMBL27516173 | 0.93 | — | — | |
| Phosphine SCHEMBL635463 | 0.93 | — | — | |
| SCHEMBL3928220 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL9180393 | 0.93 | — | — | |
| Ethane SCHEMBL28343705 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2222497 | 0.93 | — | — | |
| SCHEMBL27516183 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28055028 | 0.87 | — | — | |
| SCHEMBL27772415 | 0.87 | — | — |
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-4116965-A | STYRYL DYESTUFFS CONTAINING CERTAIN AMINO, CYANOPYRIDINE MOIETIES | CIBA-GEIGY CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |