⚠ 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 SCHEMBL28044696 | 0.97 | HCAR2 (0.48) | — | |
| SCHEMBL197638 | 0.96 | — | — | |
| Water SCHEMBL28044737 | 0.93 | — | — | |
| SCHEMBL30129770 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL6069542 | 0.93 | — | — | |
| Formaldehyde SCHEMBL28060910 | 0.87 | HCAR2 (0.52) | — | |
| Cyanide SCHEMBL28048122 | 0.87 | HCAR2 (0.46) | — | |
| SCHEMBL9513612 | 0.84 | HCAR2 (0.44) | — | |
| SCHEMBL28151623 | 0.84 | HCAR2 (0.50) | — | |
| SCHEMBL27699782 | 0.84 | HCAR2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105503707-A | Preparation method of 2, 3, 5-trichloropyridine | Jiangsu fengshan group co ltd | 2016-04-20 | — | — | CN | disclosed |