⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7165464 | 0.87 | — | — | |
| SCHEMBL26217 | 0.87 | — | — | |
| SCHEMBL8764886 | 0.85 | ALDH1A1 (0.46) | — | |
| Ethylene SCHEMBL8621311 | 0.84 | TSHR (0.50) | — | |
| Methane SCHEMBL9845065 | 0.84 | TSHR (0.50) | — | |
| Formaldehyde SCHEMBL16146046 | 0.84 | TSHR (0.50) | — | |
| SCHEMBL3284715 | 0.84 | TSHR (0.50) | — | |
| Bromide SCHEMBL8587199 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3220913 | 0.81 | — | — | |
| SCHEMBL1136939 | 0.79 | ALDH1A1 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0910700-B1 | TEMPORARY WET STRENGTH RESINS | BAYER AG (US) | 2002-01-16 | — | — | EP | disclosed |
| US-5114739-A | Corona treatment of surface, coating with acrylic terpolymer and a nonionic surfactant with an anionic surfactant, drying to form nodules | HOECHST CELANESE CORPORATION (US) | 1992-05-19 | — | — | US | disclosed |
| US-5096784-A | Methyl methacrylate terpolymer, nonionic and anionic surfactants; magnetic tapes | HOECHST CELANESE CORPORATION (US) | 1992-03-17 | — | — | US | disclosed |