⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23565849 | 0.81 | KDM4E (0.39) | — | |
| SCHEMBL19301848 | 0.78 | PDE2A (0.38) | — | |
| SCHEMBL18368373 | 0.77 | GCGR (0.31) | — | |
| SCHEMBL19301849 | 0.76 | HTR2A (0.34) | — | |
| SCHEMBL23566780 | 0.71 | CXCR4 (0.40) | — | |
| SCHEMBL23565839 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL23566221 | 0.69 | GABRP (0.38) | — | |
| SCHEMBL19284414 | 0.68 | PTGER4 (0.41) | — | |
| SCHEMBL4734695 | 0.68 | EIF4A3 (0.32) | — | |
| SCHEMBL12263281 | 0.66 | LMNA (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11198681-B2 | Heteroaryl inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2021-12-14 | — | — | US | disclosed |
| US-20210188810-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2021-06-24 | — | — | US | disclosed |
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |