⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL933129 | 0.60 | — | — | |
| SCHEMBL8273013 | 0.59 | — | — | |
| SCHEMBL31261085 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL6445003 | 0.59 | — | — | |
| SCHEMBL580953 | 0.59 | — | — | |
| Water SCHEMBL2227274 | 0.58 | — | — | |
| SCHEMBL6048120 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL17730390 | 0.55 | — | — | |
| SCHEMBL2146911 | 0.55 | — | — | |
| SCHEMBL930057 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014104904-A1 | PROCESS FOR PREPARATION OF BOSENTAN MONOHYDRATE OF PHARMACEUTICAL PURITY | INSTYTUT FARMACEUTYCZNY (PL) | 2014-07-03 | — | — | WO | disclosed |
| US-20100022568-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS FOR EARLY STAGE IDIOPATHIC PULMONARY FIBROSIS | Actelion Pharmaceeuticals Ltd. (CH) | 2010-01-28 | — | — | US | disclosed |
| EP-1191026-B1 | New pyridazine endothelin antagonists | PFIZER LTD (GB) | 2004-05-19 | — | — | EP | disclosed |
| US-6670362-B2 | Treatment of restenosis, acute or chronic renal failure, pulmonary hypertension, systemic hypertension, benign prostatic hyperplasia, male erectile dysfunction, prostate cancer, metastatic bone cancer, angina, atherosclerosis | PFIZER INC. | 2003-12-30 | — | — | US | disclosed |
| US-20020061889-A1 | New pyridazine endothelin antagonists | PFIZER INC. | 2002-05-23 | — | — | US | disclosed |
| US-6387915-B2 | VASODILATION | PFIZER INC. | 2002-05-14 | — | — | US | disclosed |
| EP-1191026-A1 | New pyridazine endothelin antagonists | Pfizer Limited (GB) | 2002-03-27 | — | — | EP | disclosed |
| US-20020019408-A1 | New isoxazole-sulfonamide endothelin antagonists | BANKS BERNARD JOSEPH (GB) | 2002-02-14 | — | — | US | disclosed |
| EP-1160248-A1 | N-(Isoxazol-5-yl)-sulfonamide derivatives and their use as endothelin antagonists | PFIZER INC. (US) | 2001-12-05 | — | — | EP | disclosed |