⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402473 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL5163086 | 0.72 | — | — | |
| SCHEMBL3628371 | 0.71 | — | — | |
| SCHEMBL7640380 | 0.70 | — | — | |
| SCHEMBL7637342 | 0.68 | — | — | |
| SCHEMBL19734836 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL7638504 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL19734840 | 0.64 | — | — | |
| SCHEMBL8847043 | 0.64 | — | — | |
| SCHEMBL3264493 | 0.64 | — | — |
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-6365223-B1 | HYDROPHOBIC RESINS CONTAINING SULFUR, SUCH AS POLYTHIOETHERS, DIPPING INTO A LIQUID COMPRISING AN INORGANIC AND/OR AN ORGANIC ACID; THE ORGANIC ACID IS A MIXTURE OF A SULFONIC ACID COMPOUND AND A PHENOL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2002-04-02 | — | — | US | disclosed |
| EP-1024223-A2 | Process for tinting a resin for optical materials | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2000-08-02 | — | — | EP | disclosed |