⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17276645 | 0.95 | PKM (0.54) | — | |
| SCHEMBL17276531 | 0.91 | AKR1C3 (0.59) | — | |
| SCHEMBL17276407 | 0.90 | FAAH (0.57) | — | |
| SCHEMBL17276444 | 0.88 | FAAH (0.68) | — | |
| SCHEMBL19078721 | 0.87 | L3MBTL1 (0.53) | — | |
| SCHEMBL17276420 | 0.86 | ALDH1A1 (0.54) | — | |
| SCHEMBL17276383 | 0.86 | AKR1C3 (0.64) | — | |
| SCHEMBL17276459 | 0.86 | LMNA (0.54) | — | |
| SCHEMBL17276603 | 0.85 | FAAH (0.52) | — | |
| SCHEMBL17276732 | 0.84 | AKR1C3 (0.49) | — |
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-10093630-B2 | Pyrazole compounds and methods of making and using same | ABIDE THERAPEUTICS, INC. (US) | 2018-10-09 | — | — | US | disclosed |
| US-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |
| US-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |
| US-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |
| WO-2015179559-A2 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ABIDE THERAPEUTICS, INC. (US) | 2015-11-26 | — | — | WO | disclosed |
| WO-2015179559-A2 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ABIDE THERAPEUTICS, INC. (US) | 2015-11-26 | — | — | WO | disclosed |