⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8589525 | 1.00 | — | — | |
| SCHEMBL2484739 | 0.83 | CYP2D6 (0.48) | — | |
| SCHEMBL1719662 | 0.83 | CYP2D6 (0.48) | — | |
| SCHEMBL1132289 | 0.83 | CYP2D6 (0.67) | — | |
| SCHEMBL1067106 | 0.82 | CYP2D6 (0.48) | — | |
| Alcohol SCHEMBL2031858 | 0.82 | CYP2D6 (0.48) | — | |
| SCHEMBL360356 | 0.81 | CYP2D6 (0.70) | — | |
| SCHEMBL28584076 | 0.81 | CYP2D6 (0.70) | — | |
| SCHEMBL8455217 | 0.81 | CYP2D6 (0.70) | — | |
| SCHEMBL27938464 | 0.81 | CYP2D6 (0.70) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812381-B1 | ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE | SHOWA DENKO KK (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-7579066-B2 | Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use | SHOWA DENKO K.K. (JP) | 2009-08-25 | — | — | US | disclosed |
| US-7534551-B2 | Planographic printing plate material | KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) | 2009-05-19 | — | — | US | disclosed |
| US-20080132597-A1 | Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use | RESONAC CORPORATION (JP) | 2008-06-05 | — | — | US | disclosed |
| WO-1998047864-A2 | N-ACETALALKYLCARBAMATES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | NOVARTIS AG (CH) | 1998-10-29 | — | — | WO | disclosed |
| US-4582651-A | Process for preparing hydroxyalkylaminosulfonic acids | NIPPON PAINT CO., LTD. (JP) | 1986-04-15 | — | — | US | disclosed |
| US-4481150-A | Process for preparing hydroxyalkylaminosulfonic acids | NIPPON PAINT CO., LTD. (JP) | 1984-11-06 | — | — | US | disclosed |