⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1593030 | 0.68 | — | — | |
| SCHEMBL622567 | 0.64 | — | — | |
| SCHEMBL505275 | 0.61 | — | — | |
| SCHEMBL742972 | 0.61 | — | — | |
| SCHEMBL2244515 | 0.61 | — | — | |
| SCHEMBL4754649 | 0.60 | — | — | |
| SCHEMBL1592620 | 0.60 | — | — | |
| SCHEMBL3593458 | 0.57 | — | — | |
| SCHEMBL8352174 | 0.57 | — | — | |
| SCHEMBL3665840 | 0.56 | FKBP5 (0.32) | — |
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-20130012485-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2013-01-10 | — | — | US | disclosed |
| 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 |
| EP-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | 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 |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |