⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL4631104 | 0.88 | TDP1 (0.32) | — | |
| SCHEMBL21612 | 0.88 | TDP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19876390 | 0.86 | TDP1 (0.33) | — | |
| SCHEMBL28438123 | 0.84 | TDP1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28885309 | 0.84 | TDP1 (0.32) | — | |
| Methylamine SCHEMBL28366153 | 0.84 | TDP1 (0.32) | — | |
| SCHEMBL29083395 | 0.82 | TDP1 (0.46) | — | |
| Sulfuric Acid SCHEMBL9300542 | 0.81 | TDP1 (0.30) | — | |
| (Chloromethyl)Benzene SCHEMBL21631046 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL21623628 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6590051-B1 | Polyampholytes used to increase retention and drainage in fiber suspensions or pulps used in papermaking; clarification | ONDEO NALCO COMPANY | 2003-07-08 | — | — | US | disclosed |
| US-6313246-B1 | UNSATURATED QUATERNARY AMMONIUM OR SULFONIUM SALT AND NONIONIC MONOMERS ; WATER IN OIL EMULSION, DISPERSION OR GEL; PAPERMAKING | NALCO CHEMICAL COMPANY | 2001-11-06 | — | — | US | disclosed |