⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1158148 | 0.76 | — | — | |
| SCHEMBL42544 | 0.76 | — | — | |
| Water SCHEMBL27088467 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL30779750 | 0.72 | — | — | |
| Fluoride SCHEMBL31324810 | 0.72 | — | — | |
| SCHEMBL10408062 | 0.71 | CA1 (0.39) | — | |
| SCHEMBL3523807 | 0.67 | CA1 (0.35) | — | |
| SCHEMBL16492138 | 0.65 | NSD2 (0.31) | — | |
| SCHEMBL28076887 | 0.65 | — | — | |
| SCHEMBL109558 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |
| CN-101679242-A | Ethylene hydrazine amide derivative, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2010-03-24 | — | — | CN | disclosed |