⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15317948 | 0.77 | — | — | |
| SCHEMBL19928705 | 0.74 | POLB (0.46) | — | |
| SCHEMBL2082405 | 0.73 | — | — | |
| SCHEMBL18232390 | 0.72 | POLB (0.45) | — | |
| SCHEMBL15332599 | 0.67 | MEN1 (0.73) | — | |
| Mirin SCHEMBL15421605 | 0.66 | MRE11 (1.00) | — | |
| SCHEMBL15421696 | 0.66 | MRE11 (0.71) | — | |
| SCHEMBL15421697 | 0.66 | MRE11 (0.71) | — | |
| SCHEMBL8182649 | 0.66 | MEN1 (0.58) | — | |
| Mirin SCHEMBL15421606 | 0.66 | MRE11 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902237-B2 | nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels | EXELIXIS, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| US-20080132519-A1 | Heterocyclic Compounds As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-06-05 | — | — | US | disclosed |
| EP-1776112-A2 | HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006020680-A2 | HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-23 | — | — | WO | disclosed |