⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15066759 | 1.00 | — | — | |
| SCHEMBL20487873 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL21100391 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL264893 | 0.69 | — | — | |
| SCHEMBL136678 | 0.69 | — | — | |
| SCHEMBL15546709 | 0.69 | — | — | |
| SCHEMBL272875 | 0.69 | — | — | |
| SCHEMBL214693 | 0.69 | — | — | |
| SCHEMBL19301622 | 0.67 | — | — | |
| SCHEMBL31156786 | 0.67 | GABRR1 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3194382-A1 | PYRAZOLE DERIVATIVES AS SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2017-07-26 | — | — | EP | disclosed |
| EP-3112363-A1 | 2-[1-[(2-FLUOROPHENYL)METHYL]-5-(3-ISOXAZOLYL)-1H-PYRAZOL-3-YL]-PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS SOLUBLE GUANYLATE CYCLASE (SGC) STIMULATORS FOR THE TREATMENT OF PULMONARY HYPERTENSION | Ironwood Pharmaceuticals, Inc. (US) | 2017-01-04 | — | — | EP | disclosed |
| EP-2797915-B1 | 2-benzyl-3-(oxazole/thiazole)-5-(pyrimidin-2-yl)-1(H)-pyrazole derivatives as stimulators of the soluble guanylate cyclase (sGC) for the treatment of e.g. hypertension or heart failure | IRONWOOD PHARMACEUTICALS INC (US) | 2016-07-13 | — | — | EP | disclosed |
| WO-2016044447-A1 | PYRAZOLE DERIVATIVES AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2016-03-24 | — | — | WO | disclosed |
| US-20150342954-A1 | 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | US | disclosed |
| US-9139564-B2 | 2-benzyl, 3-(pyrimidin-2-yl) substituted pyrazoles useful as sGC stimulators | IRONWOOD PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| EP-2797915-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013101830-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2013-07-04 | — | — | WO | disclosed |