⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5741426 | 0.74 | — | — | |
| SCHEMBL4762514 | 0.74 | LTA4H (0.41) | — | |
| SCHEMBL1022128 | 0.70 | — | — | |
| SCHEMBL18093536 | 0.67 | MAPK1 (0.40) | — | |
| SCHEMBL5457855 | 0.67 | ACHE (0.34) | — | |
| SCHEMBL19890970 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL11883930 | 0.65 | — | — | |
| SCHEMBL13876270 | 0.65 | — | — | |
| SCHEMBL10402479 | 0.64 | SIRT2 (0.31) | — | |
| SCHEMBL11636126 | 0.64 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780330-B1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | HOFFMANN LA ROCHE (CH) | 2016-01-06 | — | — | EP | disclosed |
| US-9090565-B2 | 1-pyridazinyl-hydroxyimino-3-phenyl-propanes | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090565-B2 | 1-pyridazinyl-hydroxyimino-3-phenyl-propanes | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2780330-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072265-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-23 | — | — | WO | disclosed |
| US-20130123267-A1 | 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-20130123267-A1 | 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-20080064682-A1 | Pyrazole Derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| US-20070219210-A1 | Amidopyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-20 | — | — | US | disclosed |
| EP-1762568-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-14 | — | — | EP | disclosed |
| EP-1698626-A1 | AMIDOPYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1147116-A1 | BORON STEROID MIMICS AND PHARMACEUTICAL COMPOSITIONS | SRI INTERNATIONAL (US) | 2001-10-24 | — | — | EP | disclosed |
| US-6248305-B1 | ESTROGEN SENSITIVE DISEASES, CANCER | SRI INTERNATIONAL | 2001-06-19 | — | — | US | disclosed |
| WO-2000043401-A1 | BORON STEROID MIMICS AND PHARMACEUTICAL COMPOSITIONS | SRI INTERNATIONAL (US) | 2000-07-27 | — | — | WO | disclosed |