⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4652308 | 0.64 | — | — | |
| SCHEMBL1027102 | 0.64 | — | — | |
| SCHEMBL5079252 | 0.63 | — | — | |
| SCHEMBL9142020 | 0.61 | — | — | |
| SCHEMBL13868320 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL9559175 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL3963016 | 0.58 | — | — | |
| SCHEMBL9559172 | 0.58 | — | — | |
| SCHEMBL13402590 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL4939915 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514563-B2 | Producing cyano-substituted pyridine, pyrrole, furan, thiophene or benzene boranes by reacting a cyanoarene with a BH or a HBBH compound, especially 4,4,5,5-tetramethyl-1,3,2-dioxborolane or its dimer, in the presence of an organo-phosphorus or -nitrogen iridium complex; drug intermediates | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2009-04-07 | — | — | US | disclosed |