⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7870449 | 1.00 | — | — | |
| SCHEMBL20329684 | 0.87 | CHRM2 (0.33) | — | |
| SCHEMBL31285398 | 0.78 | — | — | |
| SCHEMBL31345147 | 0.78 | — | — | |
| SCHEMBL17451841 | 0.78 | — | — | |
| SCHEMBL13739194 | 0.78 | — | — | |
| SCHEMBL17453178 | 0.78 | — | — | |
| SCHEMBL3871490 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL12994226 | 0.78 | CTSK (0.34) | — | |
| SCHEMBL1350658 | 0.78 | ALDH1A1 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008013856-A2 | METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL -3-AZABICYCLO[3.1.0 ] HEXANES | DOV PHARMACEUTICAL, INC. (US) | 2008-01-31 | — | — | WO | disclosed |
| EP-0571822-B1 | Diazabicycloalkene derivatives | DAIICHI SEIYAKU CO (JP) | 2001-08-16 | — | — | EP | disclosed |
| US-5565457-A | FOR TREATMENT OF MYOCARDIAL ISCHEMIAS AND CEREBRAL VASCULAR DISORDERS | ADIR ET COMPAGNIE (FR) | 1996-10-15 | — | — | US | disclosed |
| US-5418232-A | Hypotensive, increases renal blood flow | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1995-05-23 | — | — | US | disclosed |
| EP-0571822-A1 | Diazabicycloalkene derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |