⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9868040 | 0.76 | — | — | |
| SCHEMBL239044 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5751359 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27545669 | 0.74 | — | — | |
| Water SCHEMBL27822730 | 0.74 | — | — | |
| Hydrazine SCHEMBL28208339 | 0.73 | — | — | |
| SCHEMBL27258058 | 0.72 | — | — | |
| SCHEMBL4554819 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL2138542 | 0.69 | — | — | |
| SCHEMBL27491016 | 0.67 | NFKB1 (0.33) | — |
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-103804341-A | Amide derivative and medical use thereof | INST PHARM & TOXICOLOGY AMMS | 2014-05-21 | — | — | CN | disclosed |