⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5752960 | 0.85 | — | — | |
| SCHEMBL5753486 | 0.82 | — | — | |
| SCHEMBL5752390 | 0.81 | PGR (0.33) | — | |
| SCHEMBL5802472 | 0.78 | — | — | |
| SCHEMBL508891 | 0.74 | KCNH2 (0.38) | — | |
| SCHEMBL5751600 | 0.71 | DUT (0.32) | — | |
| SCHEMBL5863345 | 0.69 | L3MBTL1 (0.36) | — | |
| SCHEMBL5653700 | 0.66 | KCNH2 (0.37) | — | |
| SCHEMBL31206662 | 0.66 | — | — | |
| SCHEMBL31206400 | 0.66 | — | — |
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-7141585-B2 | Pyrazole derivatives | AGOURON PHARMACEUTICALS, INC. (US) | 2006-11-28 | — | — | US | disclosed |
| EP-1299361-B1 | PYRAZOLE DERIVATIVES | PFIZER LTD (GB) | 2006-07-19 | — | — | EP | disclosed |
| US-20040209862-A1 | Pyrazole derivatives | PFIZER, INC. | 2004-10-21 | — | — | US | disclosed |
| US-6750230-B2 | use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors | PFIZER, INC. | 2004-06-15 | — | — | US | disclosed |
| WO-2002004424-A9 | PYRAZOLE DERIVATIVES | PFIZER LTD (GB) | 2002-12-12 | — | — | WO | disclosed |
| US-20020032184-A1 | Pyrazole derivatives | PFIZER INC. | 2002-03-14 | — | — | US | disclosed |