⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7424822 | 0.95 | MAPK1 (0.33) | — | |
| SCHEMBL212537 | 0.81 | MAPK1 (0.36) | — | |
| SCHEMBL28005067 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL18532653 | 0.76 | — | — | |
| SCHEMBL7332141 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL8888925 | 0.74 | CYP4F2 (0.38) | — | |
| SCHEMBL11361040 | 0.74 | MEN1 (0.52) | — | |
| SCHEMBL11368586 | 0.74 | MEN1 (0.52) | — | |
| SCHEMBL120507 | 0.74 | — | — | |
| SCHEMBL27930174 | 0.74 | MAPK1 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6124341-A | A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR | ABBOTT LABORATORIES (US) | 2000-09-26 | — | — | US | disclosed |
| EP-0991620-A1 | PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | Abbott Laboratories (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998057933-A1 | PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1998-12-23 | — | — | WO | disclosed |
| US-5691319-A | ANTICARCINOGENIC AGENTS | SANKYO COMPANY, LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5594006-A | SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| EP-0536936-B1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | SANKYO CO (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0536936-A1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | Sankyo Company Limited (JP) | 1993-04-14 | — | — | EP | disclosed |