⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23560692 | 0.80 | — | — | |
| SCHEMBL21349644 | 0.71 | — | — | |
| SCHEMBL22545570 | 0.64 | — | — | |
| SCHEMBL14421622 | 0.63 | — | — | |
| SCHEMBL24033603 | 0.61 | — | — | |
| SCHEMBL23562070 | 0.59 | — | — | |
| SCHEMBL23571131 | 0.57 | — | — | |
| SCHEMBL27316655 | 0.56 | — | — | |
| SCHEMBL21770374 | 0.56 | — | — | |
| SCHEMBL17199184 | 0.56 | — | — |
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-2020224656-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-11-12 | — | — | WO | disclosed |
| WO-2020192562-A1 | SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-10-01 | — | — | WO | disclosed |