⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11025404 | 0.79 | — | — | |
| SCHEMBL11020417 | 0.73 | — | — | |
| SCHEMBL16270572 | 0.72 | — | — | |
| SCHEMBL11029557 | 0.70 | — | — | |
| SCHEMBL10780987 | 0.70 | — | — | |
| SCHEMBL10780212 | 0.70 | — | — | |
| SCHEMBL11027673 | 0.69 | — | — | |
| SCHEMBL11489374 | 0.67 | — | — | |
| SCHEMBL11023499 | 0.67 | — | — | |
| SCHEMBL11348852 | 0.67 | TP53 (0.32) | — |
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-0053331-B1 | CONTINUOUS PROCESS FOR THE PRODUCTION OF CHLOROALKYLSULPHONYL ISOCYANATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-03-13 | — | — | EP | disclosed |
| US-4375436-A | Continuous process for the production of chloroalkyl-sulfonyl isocyanates | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-03-01 | — | — | US | disclosed |
| EP-0053331-A1 | Continuous process for the production of chloroalkylsulphonyl isocyanates | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-09 | — | — | EP | disclosed |