⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18238027 | 0.86 | — | — | |
| SCHEMBL7992206 | 0.74 | — | — | |
| SCHEMBL17239296 | 0.69 | — | — | |
| SCHEMBL5053955 | 0.67 | — | — | |
| SCHEMBL10527312 | 0.67 | — | — | |
| SCHEMBL28289335 | 0.67 | — | — | |
| SCHEMBL17239176 | 0.67 | — | — | |
| SCHEMBL1324976 | 0.65 | — | — | |
| SCHEMBL1325595 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28893452 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9394404-B2 | Synthesis and polymerization of oligomeric aliphatic-aromatic based phthalonitriles | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2016-07-19 | — | — | US | disclosed |
| WO-2016100259-A1 | SYNTHESIS AND POLYMERIZATION OF OLIGOMERIC ALIPHATIC-AROMATIC BASED PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2016-06-23 | — | — | WO | disclosed |
| US-20160168326-A1 | SYNTHESIS AND POLYMERIZATION OF OLIGOMERIC ALIPHATIC-AROMATIC BASED PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2016-06-16 | — | — | US | disclosed |