⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19724725 | 0.74 | — | — | |
| SCHEMBL14043771 | 0.74 | — | — | |
| SCHEMBL21516986 | 0.71 | — | — | |
| SCHEMBL19375408 | 0.71 | — | — | |
| SCHEMBL22151723 | 0.70 | — | — | |
| SCHEMBL17830454 | 0.70 | DRD2 (0.34) | — | |
| SCHEMBL24821692 | 0.69 | — | — | |
| SCHEMBL20175247 | 0.69 | SLC6A2 (0.30) | — | |
| SCHEMBL18924784 | 0.69 | — | — | |
| SCHEMBL28521208 | 0.69 | P2RX7 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220089571-A1 | NLRP3 MODULATORS | INNATE TUMOR IMMUNITY INC (US) | 2022-03-24 | — | — | US | disclosed |
| EP-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |