⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127941 | 1.00 | — | — | |
| Chloromethane SCHEMBL1802833 | 0.97 | GABRP (0.41) | — | |
| Hydrochloric Acid SCHEMBL2148370 | 0.97 | GABRP (0.41) | — | |
| Bromide SCHEMBL10351104 | 0.97 | GABRP (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL30910755 | 0.87 | GABRP (0.34) | — | |
| SCHEMBL18047809 | 0.81 | — | — | |
| SCHEMBL18047811 | 0.81 | — | — | |
| SCHEMBL8726421 | 0.80 | PTGS1 (0.37) | — | |
| SCHEMBL8726425 | 0.80 | PTGS1 (0.37) | — | |
| Chloromethane SCHEMBL1803776 | 0.80 | GABRP (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910436-B1 | ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT | FACHHOCHSCHULE GELSENKIRCHEN (DE) | 2009-01-28 | — | — | EP | disclosed |
| EP-1910436-A1 | ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT | Fachhochschule Gelsenkirchen (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007012412-A1 | ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT | FACHHOCHSCHULE GELSENKIRCHEN (DE) | 2007-02-01 | — | — | WO | disclosed |
| US-4644032-A | LATEX WITH UNSATURATED OXAZOLINE MONOMER | THE DOW CHEMICAL COMPANY (US) | 1987-02-17 | — | — | US | disclosed |
| WO-1986002371-A1 | LATEXES OF POLYMERS HAVING PENDANT COREACTIVE AND OXAZOLINE GROUPS | THE DOW CHEMICAL COMPANY (US) | 1986-04-24 | — | — | WO | disclosed |
| US-4508869-A | Latexes of polymers having pendant coreactive and oxazoline groups | THE DOW CHEMICAL COMPANY (US) | 1985-04-02 | — | — | US | disclosed |