⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL546855 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL2344565 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL17272135 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL2349168 | 0.78 | — | — | |
| SCHEMBL4266138 | 0.78 | TSHR (0.38) | — | |
| Acetic Acid SCHEMBL29610615 | 0.75 | GPR84 (0.32) | — | |
| SCHEMBL2346723 | 0.74 | — | — | |
| SCHEMBL303682 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL9795523 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL2329660 | 0.72 | ADRB2 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | claimed |
| EP-3505358-A1 | NOVEL COLOUR DEVELOPER FOR A THERMO-SENSITIVE RECORDING MEDIUM | Mitsubishi HiTec Paper Europe GmbH (DE) | 2019-07-03 | — | — | EP | disclosed |
| EP-3414099-A1 | NOVEL COLOUR DEVELOPER FOR A THERMO-SENSITIVE RECORDING MEDIUM, AND A HEAT-SENSITIVE RECORDING MATERIAL BASED ON PLA | Mitsubishi HiTec Paper Europe GmbH (DE) | 2018-12-19 | — | — | EP | disclosed |
| WO-2018130576-A1 | NOVEL COLOUR DEVELOPER FOR A THERMO-SENSITIVE RECORDING MEDIUM, AND A HEAT-SENSITIVE RECORDING MATERIAL BASED ON PLA | MITSUBISHI HITEC PAPER EUROPE GMBH (DE) | 2018-07-19 | — | — | WO | disclosed |
| US-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |
| EP-0232541-B1 | POLYISOCYANATE COMPOSITIONS CONTAINING LATENT TIN-CATALYSTS, THEIR USE IN THE PREPARATION OF POLYURETHANE RESINS AND REACTION PRODUCTS OF SULFONYL ISOCYANATES WITH SELECTED TIN COMPOUNDS | BAYER AG (DE) | 1990-10-24 | — | — | EP | disclosed |
| EP-0232541-A2 | Polyisocyanate compositions containing latent tin-catalysts, their use in the preparation of polyurethane resins and reaction products of sulfonyl isocyanates with selected tin compounds | BAYER AG (DE) | 1987-08-19 | — | — | EP | disclosed |