⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6729729 | 0.82 | CHRM3 (0.38) | — | |
| SCHEMBL30354749 | 0.72 | — | — | |
| SCHEMBL8590440 | 0.72 | CHRM3 (0.41) | — | |
| SCHEMBL6960679 | 0.68 | CHRM3 (0.53) | — | |
| Hydrochloric Acid SCHEMBL7082979 | 0.67 | CHRM3 (0.51) | — | |
| SCHEMBL2329266 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27629194 | 0.65 | CHRM3 (0.50) | — | |
| SCHEMBL356402 | 0.65 | — | — | |
| SCHEMBL2010358 | 0.65 | CHRM3 (0.34) | — | |
| SCHEMBL24103785 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2941271-B1 | C-TERMINAL HSP90 INHIBITORS TO TREAT PITUITARY ADENOMAS | MAX PLANCK GESELLSCHAFT (DE) | 2021-08-18 | — | — | EP | disclosed |
| WO-2011123609-A1 | IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2011-10-06 | — | — | WO | disclosed |
| US-7728028-B2 | Substituted imidazoline compounds | GRUENENTHAL GMBH (DE) | 2010-06-01 | — | — | US | disclosed |
| US-20090048323-A1 | SUBSTITUTED IMIDAZOLINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-02-19 | — | — | US | disclosed |
| EP-1505966-A4 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1505966-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |