⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17222415 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL14608823 | 0.78 | — | — | |
| SCHEMBL26027526 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL17222387 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL28397931 | 0.74 | — | — | |
| SCHEMBL22830543 | 0.74 | — | — | |
| SCHEMBL10124366 | 0.73 | — | — | |
| SCHEMBL6338184 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL17222356 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL15239652 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000722-B1 | PROCESS FOR THE PREPARATION OF POLYURETHANES CONTAINING ARYLSULFONIC ACID ALKYL ESTER GROUPS | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |
| EP-0000723-B1 | POLYHYDROXY COMPOUNDS CONTAINING URETHANE-ARYL-SULFONIC ACID-HYDROXYALKYL ESTER GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS REACTION COMPONENTS FOR THE PREPARATION OF POLYURETHANE RESINS | BAYER AG (DE) | 1981-01-07 | — | — | EP | disclosed |
| US-4237250-A | Polyurethanes containing aryl sulfonic acid alkyl ester groups | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-02 | — | — | US | disclosed |
| US-4201852-A | Polyurethanes based on modified polyisocyanates containing sulphonic acid ester groups and process for the production thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1980-05-06 | — | — | US | disclosed |