⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11323708 | 0.84 | — | — | |
| SCHEMBL34847 | 0.84 | — | — | |
| SCHEMBL17520435 | 0.83 | — | — | |
| SCHEMBL6569781 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL17493902 | 0.81 | — | — | |
| SCHEMBL6264510 | 0.79 | HCAR2 (0.35) | — | |
| SCHEMBL4082503 | 0.78 | — | — | |
| SCHEMBL18074416 | 0.74 | — | — | |
| SCHEMBL7424636 | 0.73 | — | — | |
| SCHEMBL2028609 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49517-E1 | Pyrazoles | Janssen Pharmaceuticals, Inc. (US) | 2023-05-02 | — | — | US | disclosed |
| US-RE49517-E1 | Pyrazoles | Janssen Pharmaceuticals, Inc. (US) | 2023-05-02 | — | — | US | disclosed |
| EP-3180315-B1 | PYRAZOLES | JANSSEN PHARMACEUTICALS INC (US) | 2020-03-18 | — | — | EP | disclosed |
| US-20170275254-A1 | PYRAZOLES | JANSSEN PHARMACEUTICALS INC (US) | 2017-09-28 | — | — | US | disclosed |
| US-20170275254-A1 | PYRAZOLES | JANSSEN PHARMACEUTICALS INC (US) | 2017-09-28 | — | — | US | disclosed |
| WO-2016025918-A1 | PYRAZOLES | Janssen Pharmaceuticals, Inc. (US) | 2016-02-18 | — | — | WO | disclosed |