⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1592805 | 0.83 | — | — | |
| SCHEMBL2500830 | 0.72 | PNMT (0.30) | — | |
| SCHEMBL2506568 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL1593248 | 0.67 | — | — | |
| SCHEMBL2496236 | 0.63 | KDM4E (0.30) | — | |
| SCHEMBL3397829 | 0.63 | PNMT (0.32) | — | |
| SCHEMBL237770 | 0.62 | — | — | |
| SCHEMBL6808540 | 0.62 | — | — | |
| SCHEMBL2507795 | 0.60 | PNMT (0.31) | — | |
| SCHEMBL16603037 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110092554-A1 | 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS | ENVIVO PHARMACEUTICALS, INC. | 2011-04-21 | — | — | US | disclosed |
| CN-101678026-A | 3, 6-disubstituted-imidazo [1, 2-B] pyridazines and 3, 5-disubstituted pyrazolo[1, 5-A] pyrimidines as phosphatidylinositol-3-kinase inhibitors | NOVARTIS AG | 2010-03-24 | — | — | CN | disclosed |
| WO-2009137499-A1 | INHIBITORS OF HISTONE DEACETYLASE | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | WO | disclosed |
| WO-2009137503-A1 | HDAC INHIBITORS AND USES THEREOF | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | WO | disclosed |
| WO-2009067493-A2 | 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-05-28 | — | — | WO | disclosed |