⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22187860 | 0.76 | — | — | |
| SCHEMBL20197458 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL26014892 | 0.74 | — | — | |
| SCHEMBL24915040 | 0.72 | — | — | |
| SCHEMBL26050265 | 0.71 | — | — | |
| SCHEMBL24792847 | 0.71 | — | — | |
| SCHEMBL6055324 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL25935802 | 0.64 | — | — | |
| SCHEMBL6055428 | 0.64 | — | — | |
| SCHEMBL24830493 | 0.64 | — | — |
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-10301306-B2 | Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-05-28 | — | — | US | disclosed |
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-12-21 | — | — | US | disclosed |