⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21992235 | 0.97 | — | — | |
| SCHEMBL22186 | 0.97 | — | — | |
| Hydrazine SCHEMBL28176811 | 0.94 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3392923 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL28076709 | 0.94 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL3124611 | 0.94 | ALDH1A1 (0.35) | — | |
| Methane SCHEMBL28919278 | 0.94 | — | — | |
| SCHEMBL6261863 | 0.94 | ALDH1A1 (0.35) | — | |
| Ethylenediamine SCHEMBL5184739 | 0.94 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL8642115 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1302493-B1 | Polydithiocarbamate resin | AKZO NOBEL NV (NL) | 2009-07-29 | — | — | EP | disclosed |
| US-7030205-B2 | Polydithiocarbamate resin | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 2006-04-18 | — | — | US | disclosed |
| US-20030083456-A1 | Polydithiocarbamate resin | AKZO NOBEL N.V. (NL) | 2003-05-01 | — | — | US | disclosed |
| EP-1302493-A2 | Polydithiocarbamate resin | National Starch and Chemical Investment Holding Corporation (US) | 2003-04-16 | — | — | EP | disclosed |