⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21167001 | 0.76 | — | — | |
| SCHEMBL19979493 | 0.75 | — | — | |
| SCHEMBL14964096 | 0.74 | USP2 (0.33) | — | |
| SCHEMBL22782866 | 0.74 | — | — | |
| SCHEMBL19708119 | 0.71 | — | — | |
| SCHEMBL23049096 | 0.71 | — | — | |
| SCHEMBL10064264 | 0.69 | GRIN2D (0.31) | — | |
| SCHEMBL10081757 | 0.69 | TSHR (0.47) | — | |
| SCHEMBL24610042 | 0.69 | GRIN2D (0.31) | — | |
| SCHEMBL20328080 | 0.69 | CYP2D6 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019062657-A1 | NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 北京越之康泰生物医药科技有限公司 | 2019-04-04 | — | — | WO | disclosed |