⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320609 | 0.94 | MEN1 (1.00) | — | |
| SCHEMBL27981 | 0.94 | — | — | |
| SCHEMBL9435983 | 0.89 | MEN1 (0.89) | — | |
| Fluoride SCHEMBL10704561 | 0.89 | MEN1 (0.89) | — | |
| Hydrochloric Acid SCHEMBL378591 | 0.89 | MEN1 (0.89) | — | |
| SCHEMBL1652426 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL1658729 | 0.89 | MEN1 (0.89) | — | |
| Fluoride SCHEMBL20497199 | 0.89 | MEN1 (0.89) | — | |
| SCHEMBL21749649 | 0.89 | — | — | |
| SCHEMBL3750744 | 0.89 | — | — |
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-6767640-B2 | PHENYLENEDIAMINE DERIVATIVES WHEN INCORPORATED IN AN ALKYL BACKBONE ATTACHED TO SILICIC ACID GROUPS ON THE SILICA GEL COATED MEDIA WOULD PROTECT AGAINST COLORANT FUGITIVE AGENTS | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2004-07-27 | — | — | US | disclosed |