⚠ 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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL5191 | 1.00 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6228832 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11577097 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6534336 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL10603593 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5144812 | 0.94 | LMNA (0.89) | — | |
| 1,4-Dichlorobenzene SCHEMBL15668734 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL8166345 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5414363 | 0.94 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6230506 | 0.94 | — | — |
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-4309181-A | α-Hydrazono α-phenyl acetonitriles, their preparation and their application as dispersed dyestuffs for the coloration of artificial or synthetic materials | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1982-01-05 | — | — | US | disclosed |