⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455138 | 1.00 | — | — | |
| SCHEMBL18169897 | 1.00 | — | — | |
| SCHEMBL1040029 | 0.93 | EPHX1 (0.33) | — | |
| SCHEMBL5043492 | 0.91 | — | — | |
| SCHEMBL18169960 | 0.91 | — | — | |
| SCHEMBL18169700 | 0.91 | — | — | |
| SCHEMBL1039310 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL1038975 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL7981676 | 0.83 | TAAR1 (0.36) | — | |
| SCHEMBL1039174 | 0.80 | NPC1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113750094-A | Pyrazole compounds and methods of making and using the same | 里格尔药品股份有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-107438603-B | Pyrazole compounds and methods of making and using the same | 里格尔药品股份有限公司 | 2021-08-10 | — | — | CN | disclosed |
| US-10208074-B2 | Pyrazole compounds and method for making and using the compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2019-02-19 | — | — | US | disclosed |
| US-20160311839-A1 | PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2016-10-27 | — | — | US | disclosed |