⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23219987 | 1.00 | — | — | |
| SCHEMBL10209306 | 0.72 | P2RX7 (0.33) | — | |
| SCHEMBL10064158 | 0.72 | P2RX7 (0.33) | — | |
| SCHEMBL21606105 | 0.71 | SLC6A9 (0.36) | — | |
| SCHEMBL21605466 | 0.71 | RORC (0.30) | — | |
| SCHEMBL21607413 | 0.71 | SLC6A9 (0.36) | — | |
| SCHEMBL21605619 | 0.71 | SLC6A9 (0.36) | — | |
| SCHEMBL23219330 | 0.71 | — | — | |
| SCHEMBL21605580 | 0.71 | RORC (0.30) | — | |
| SCHEMBL23220040 | 0.69 | KDM1A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11034658-B2 | Pyridinyl pyrazoles as modulators of RORγT | JANSSEN PHARMACEUTICA NV (BE) | 2021-06-15 | — | — | US | disclosed |
| US-10975057-B2 | 6-aminopyridin-3-yl pyrazoles as modulators of RORgT | JANSSEN PHARMACEUTICA NV (BE) | 2021-04-13 | — | — | US | disclosed |
| US-10975037-B2 | Phenyl substituted pyrazoles as modulators of RORγt | JANSSEN PHARMACEUTICA NV (BE) | 2021-04-13 | — | — | US | disclosed |