⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20095898 | 1.00 | — | — | |
| SCHEMBL17695623 | 0.80 | — | — | |
| SCHEMBL383866 | 0.78 | — | — | |
| SCHEMBL666425 | 0.78 | — | — | |
| SCHEMBL25497617 | 0.77 | HRH4 (0.31) | — | |
| SCHEMBL3806129 | 0.77 | HRH4 (0.31) | — | |
| SCHEMBL3806127 | 0.77 | HRH4 (0.31) | — | |
| SCHEMBL25006764 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL2568355 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL14548982 | 0.72 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| EP-2382240-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | Bridgestone Corporation (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010085622-A9 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010085622-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-07-29 | — | — | WO | disclosed |
| EP-2003151-A1 | Improved hydrogen response through catalyst modification | Nova Chemicals Corporation (CA) | 2008-12-17 | — | — | EP | disclosed |
| WO-2008135232-A1 | USE AND COMPOSITIONS OF PURINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | CORTESE RICCARDO (IT) | 2008-11-13 | — | — | WO | disclosed |
| US-4016262-A | ANTILIPOLYTIC, HYPERLIPEMIA, ANTICHOLESTEROL AGENTS | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1977-04-05 | — | — | US | disclosed |