⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3200940 | 0.97 | — | — | |
| SCHEMBL4404614 | 0.94 | — | — | |
| Isopropylamine SCHEMBL11664033 | 0.88 | DPP4 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL8745427 | 0.81 | — | — | |
| SCHEMBL27968318 | 0.78 | DPP4 (0.33) | — | |
| SCHEMBL27968049 | 0.75 | DPP4 (0.32) | — | |
| SCHEMBL27967817 | 0.75 | DPP4 (0.32) | — | |
| SCHEMBL8733209 | 0.75 | — | — | |
| SCHEMBL3083423 | 0.71 | — | — | |
| SCHEMBL437705 | 0.69 | NPSR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848479-A | Preparation and application of N-alkyl ammonium dithiocarbamate and aqueous solution thereof | 济南锐铂化工有限公司 | 2020-10-30 | — | — | CN | claimed |
| CN-111848479-A | Preparation and application of N-alkyl ammonium dithiocarbamate and aqueous solution thereof | 济南锐铂化工有限公司 | 2020-10-30 | — | — | CN | disclosed |