⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15807895 | 1.00 | — | — | |
| SCHEMBL12975407 | 0.92 | — | — | |
| SCHEMBL18540923 | 0.92 | — | — | |
| SCHEMBL16565649 | 0.79 | — | — | |
| SCHEMBL1099991 | 0.78 | — | — | |
| SCHEMBL3429195 | 0.78 | — | — | |
| SCHEMBL2388221 | 0.78 | — | — | |
| SCHEMBL13961615 | 0.77 | CYP2D6 (0.43) | — | |
| SCHEMBL2279513 | 0.77 | CYP2D6 (0.43) | — | |
| SCHEMBL27577662 | 0.77 | CYP2D6 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023280317-A1 | BENZYLAMINO TRICYCLIC COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-01-12 | — | — | WO | disclosed |
| WO-2016130527-A1 | SUBSTITUTED CYCLIC ETHER POLYMERS, AND CONJUGATES AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2016-08-18 | — | — | WO | disclosed |
| WO-2015032286-A1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2015-03-12 | — | — | WO | disclosed |
| EP-2815750-A1 | 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2014-12-24 | — | — | EP | disclosed |
| EP-1380121-B1 | PROCESS TO PREPARE OXAZOLIDINONES | PHARMACIA & UPJOHN CO LLC (US) | 2007-09-26 | — | — | EP | disclosed |