⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL586 | 1.00 | — | — | |
| Acetonitrile SCHEMBL15051448 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2259244 | 1.00 | — | — | |
| Acetonitrile SCHEMBL18187251 | 0.95 | — | — | |
| Acetonitrile SCHEMBL310845 | 0.95 | — | — | |
| Acetonitrile SCHEMBL10594717 | 0.95 | — | — | |
| Acetonitrile SCHEMBL2812301 | 0.95 | — | — | |
| Acetonitrile SCHEMBL528219 | 0.95 | — | — | |
| Acetonitrile SCHEMBL20586623 | 0.95 | — | — | |
| Acetonitrile SCHEMBL21250174 | 0.95 | — | — |
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-5955555-A | CATALYTIC POLYMERIZATION OF ETHYLENE IN PRESENCE OF AN IRON OR COBALT COMPLEXES OF SELECTED 2,6-PYRIDINECARBOXALDEHYDEBIS(IMINES) AND 2,6-DIACYLPYRIDINEBIS(IMINES); USE AS MOLDING MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-21 | — | — | US | disclosed |