⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1089961 | 0.94 | — | — | |
| SCHEMBL5439 | 0.94 | — | — | |
| SCHEMBL5345048 | 0.89 | ALDH1A1 (0.33) | — | |
| Lithium SCHEMBL29430130 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL6813129 | 0.89 | — | — | |
| SCHEMBL30300539 | 0.89 | — | — | |
| Methane SCHEMBL20985209 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29000858 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29190498 | 0.89 | — | — | |
| Iodide SCHEMBL14675871 | 0.89 | — | — |
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-20150293445-A1 | NOVEL SULFONIUM SALT COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHOTOACID GENERATOR | MP GOKYO FOOD & CHEMICAL CO., LTD. (JP) | 2015-10-15 | — | — | US | disclosed |
| US-4174292-A | POLYETHYLENIMINE OR AN ALKANOLAMINE TO CLEANUP MINERAL ACID | J. T. BAKER CHEMICAL COMPANY (US) | 1979-11-13 | — | — | US | disclosed |