⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1302789 | 0.73 | — | — | |
| SCHEMBL7670738 | 0.70 | — | — | |
| SCHEMBL7464646 | 0.67 | — | — | |
| SCHEMBL7666625 | 0.67 | — | — | |
| SCHEMBL3212824 | 0.67 | — | — | |
| SCHEMBL8405846 | 0.62 | — | — | |
| SCHEMBL134819 | 0.61 | — | — | |
| SCHEMBL2099981 | 0.61 | — | — | |
| SCHEMBL3209597 | 0.61 | — | — | |
| SCHEMBL791777 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5420099-A | Sulfanomide herbicides | SHELL RESEARCH LIMITED (GB) | 1995-05-30 | — | — | US | claimed |
| EP-0549079-A1 | Sulphonamide herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-06-30 | — | — | EP | claimed |
| EP-0355544-A2 | Substituted decalin amines, method for their preparation and their use in pesticides | BAYER AG (DE) | 1990-02-28 | — | — | EP | claimed |
| US-5420099-A | Sulfanomide herbicides | SHELL RESEARCH LIMITED (GB) | 1995-05-30 | — | — | US | disclosed |
| EP-0549079-A1 | Sulphonamide herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-06-30 | — | — | EP | disclosed |
| EP-0258782-A2 | Use of 1-(substituted mercapto-hydroxyethyl)-triazoles in the treatment of illnesses | BAYER AG (DE) | 1988-03-09 | — | — | EP | disclosed |