⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21785 | 0.73 | — | — | |
| SCHEMBL2699370 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28971513 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28172272 | 0.69 | — | — | |
| SCHEMBL9056052 | 0.69 | — | — | |
| Urea SCHEMBL11078143 | 0.69 | ALDH1A1 (0.60) | — | |
| SCHEMBL970099 | 0.69 | — | — | |
| SCHEMBL15131399 | 0.67 | CRBN (0.32) | — | |
| Hydrochloric Acid SCHEMBL27556276 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL901477 | 0.65 | LMNA (0.35) | — |
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-108033904-B | A kind of synthetic method of medicine intermediate semicarbazones | 甘肃北盛康德药业有限公司 | 2019-07-26 | — | — | CN | claimed |