⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL2286984 | 0.90 | — | — | |
| Acetone SCHEMBL11226617 | 0.81 | — | — | |
| Bicarbonate SCHEMBL6685002 | 0.81 | — | — | |
| SCHEMBL93710 | 0.80 | — | — | |
| SCHEMBL202602 | 0.80 | — | — | |
| SCHEMBL114712 | 0.80 | — | — | |
| Acetic Acid SCHEMBL11218327 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28584351 | 0.79 | — | — | |
| SCHEMBL11426383 | 0.76 | — | — | |
| SCHEMBL2281294 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0261710-B1 | PHENYLUREA HERBICIDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-23 | — | — | EP | disclosed |
| EP-0261710-A1 | Phenylurea herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-03-30 | — | — | EP | disclosed |