⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21891345 | 0.92 | — | — | |
| SCHEMBL3675466 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9004739 | 0.78 | RAD52 (0.33) | — | |
| SCHEMBL1485903 | 0.74 | — | — | |
| SCHEMBL3673036 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9004738 | 0.71 | — | — | |
| SCHEMBL3667302 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL3667301 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL1485844 | 0.70 | — | — | |
| SCHEMBL3668918 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017120429-A1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS Pharmasciences, Inc. (US) | 2017-07-13 | — | — | WO | disclosed |
| EP-2035365-B1 | PROCESS FOR THE MANUFACTURE OF HEXAMETHYLEN DIAMIN | RHODIA OPERATIONS (FR) | 2013-04-10 | — | — | EP | disclosed |
| US-7939691-B2 | Preparation of primary diamines | RHODIA OPERATIONS (FR) | 2011-05-10 | — | — | US | disclosed |
| US-20100036169-A1 | Preparation of Primary Diamines | PERFORMANCE POLYAMIDES, SAS (FR) | 2010-02-11 | — | — | US | disclosed |
| EP-2035365-A2 | PROCESS FOR THE MANUFACTURE OF PRIMARY DIAMINES | Rhodia Opérations (FR) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147960-A2 | PROCESS FOR THE MANUFACTURE OF PRIMARY DIAMINES | RHODIA OPERATIONS (FR) | 2007-12-27 | — | — | WO | disclosed |