⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27525803 | 0.67 | ALDH1A1 (0.35) | — | |
| Benzene SCHEMBL11577139 | 0.67 | — | — | |
| SCHEMBL1389201 | 0.67 | — | — | |
| SCHEMBL4633596 | 0.67 | — | — | |
| SCHEMBL11034650 | 0.67 | — | — | |
| SCHEMBL9727069 | 0.65 | — | — | |
| SCHEMBL219138 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28218758 | 0.61 | — | — | |
| SCHEMBL7767155 | 0.61 | — | — | |
| SCHEMBL11044982 | 0.58 | CA1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5519148-A | CHEMICAL INTERMEDIATES FOR HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1996-05-21 | — | — | US | claimed |
| EP-0161211-B1 | N-HETEROCYCLOSULFONYL-N'-PYRIMIDINYL AND -TRIAZINYL UREAS | CIBA-GEIGY AG (CH) | 1990-08-01 | — | — | EP | claimed |
| US-5519148-A | CHEMICAL INTERMEDIATES FOR HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1996-05-21 | — | — | US | disclosed |
| EP-0161211-B1 | N-HETEROCYCLOSULFONYL-N'-PYRIMIDINYL AND -TRIAZINYL UREAS | CIBA-GEIGY AG (CH) | 1990-08-01 | — | — | EP | disclosed |