⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27925576 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28027666 | 0.67 | — | — | |
| SCHEMBL27364402 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27494336 | 0.67 | — | — | |
| SCHEMBL28249009 | 0.65 | — | — | |
| SCHEMBL27959818 | 0.65 | — | — | |
| SCHEMBL28011988 | 0.65 | — | — | |
| SCHEMBL27480071 | 0.65 | — | — | |
| SCHEMBL28239219 | 0.65 | — | — | |
| SCHEMBL28178117 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207481-A | It is used as the derovatives of 3 (4 ethynyl phenyl) hexahydropyrimidine 2,4 of MGLUR4 conditioning agent | 豪夫迈·罗氏有限公司 | 2017-09-26 | — | — | CN | disclosed |