⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8014451 | 0.69 | AKR1B1 (0.53) | — | |
| SCHEMBL8014456 | 0.69 | AKR1B1 (0.53) | — | |
| Ethyne SCHEMBL28686799 | 0.67 | — | — | |
| SCHEMBL66720 | 0.67 | — | — | |
| SCHEMBL4775138 | 0.65 | — | — | |
| SCHEMBL128900 | 0.65 | — | — | |
| SCHEMBL93405 | 0.64 | — | — | |
| SCHEMBL284308 | 0.64 | — | — | |
| SCHEMBL1332346 | 0.64 | — | — | |
| SCHEMBL22833843 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1007515-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | Abbott Laboratories (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-1999010331-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-03-04 | — | — | WO | disclosed |
| US-5753649-A | Therapeutic agent for osteoporosis and diazepine compound | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| WO-1997046543-A1 | ACETYL DERIVATIVES OF THIAZOLES AND ANALOGUES | THE UNIVERSITY OF WOLLONGONG (AU) | 1997-12-11 | — | — | WO | disclosed |
| US-5593988-A | DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| EP-0638560-A1 | REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-02-15 | — | — | EP | disclosed |