⚠ 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 | |
|---|---|---|---|---|
| Cyanate SCHEMBL28246364 | 0.87 | CA1 (0.50) | — | |
| Cyanate SCHEMBL28133737 | 0.87 | — | — | |
| Water SCHEMBL27271692 | 0.80 | — | — | |
| Water SCHEMBL28374758 | 0.80 | — | — | |
| Water SCHEMBL3820151 | 0.80 | — | — | |
| Cyanamide SCHEMBL11725056 | 0.78 | — | — | |
| Acetonitrile SCHEMBL28911013 | 0.78 | — | — | |
| Cyanate SCHEMBL28157553 | 0.76 | — | — | |
| Bicarbonate SCHEMBL9247120 | 0.76 | — | — | |
| SCHEMBL175558 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003060-A | A kind of phosgene removing method of m-xylylene diisocyanate | 青岛科技大学 | 2018-05-08 | — | — | CN | disclosed |
| CN-103687851-B | Process for producing cyclic carbonates | 拉伊尼·哈提-考尔 | 2017-09-08 | — | — | CN | disclosed |
| CN-106518751-A | Preparation method for pimavanserin | 江苏先声药业有限公司 | 2017-03-22 | — | — | CN | disclosed |