⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22141994 | 1.00 | — | — | |
| SCHEMBL22142220 | 1.00 | — | — | |
| SCHEMBL22142219 | 1.00 | — | — | |
| SCHEMBL22141993 | 1.00 | — | — | |
| SCHEMBL9943073 | 1.00 | — | — | |
| SCHEMBL22142420 | 0.92 | CYP1A2 (0.39) | — | |
| SCHEMBL22142019 | 0.92 | CYP1A2 (0.39) | — | |
| SCHEMBL12548630 | 0.92 | CYP1A2 (0.39) | — | |
| SCHEMBL22142716 | 0.92 | CYP1A2 (0.39) | — | |
| SCHEMBL22142422 | 0.92 | CYP1A2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11168093-B2 | Thienopyridine inhibitors of RIPK2 | CELGENE CORPORATION (US) | 2021-11-09 | — | — | US | disclosed |
| WO-2020132384-A1 | THIENOPYRIDINE INHIBITORS OF RIPK2 | CELGENE CORPORATION (US) | 2020-06-25 | — | — | WO | disclosed |
| US-20200199148-A1 | THIENOPYRIDINE INHIBITORS OF RIPK2 | CELGENE CORPORATION | 2020-06-25 | — | — | US | disclosed |
| US-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-14 | — | — | US | disclosed |
| US-7205318-B2 | Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-17 | — | — | US | disclosed |