⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9633346 | 1.00 | — | — | |
| SCHEMBL3792446 | 0.80 | — | — | |
| SCHEMBL6722324 | 0.74 | — | — | |
| SCHEMBL10782638 | 0.71 | — | — | |
| SCHEMBL8522991 | 0.67 | — | — | |
| SCHEMBL15938 | 0.67 | — | — | |
| SCHEMBL1770933 | 0.63 | — | — | |
| SCHEMBL2571760 | 0.63 | — | — | |
| Ethylene Glycol SCHEMBL28043287 | 0.63 | — | — | |
| SCHEMBL1850766 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0316058-B1 | UNSATURATED, HALOGENATED THIOCYANATES, THE PREPARATION THEREOF AND USE AS A BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-13 | — | — | EP | disclosed |
| US-4962123-A | Industrial fungicides, bactericides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-09 | — | — | US | disclosed |
| EP-0316058-A1 | Unsaturated, halogenated thiocyanates, the preparation thereof and use as a biocide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-17 | — | — | EP | disclosed |
| US-4421840-A | Photopolymerizable recording material containing a diisocyanate modified nylon binder | BASF AKTIENGESELLSCHAFT (DE) | 1983-12-20 | — | — | US | disclosed |
| US-3948665-A | Laminates for the manufacture of flexographic printing plates comprising photocrosslinkable reaction product of saturated polyester glycol, diisocyanate, and diol | BASF AKTIENGESELLSCHAFT (DT) | 1976-04-06 | — | — | US | disclosed |
| US-3933690-A | Dihalobutenediol containing urethane foam compositions | ICI UNITED STATES INC. (US) | 1976-01-20 | — | — | US | disclosed |