⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8160246 | 1.00 | — | — | |
| SCHEMBL101101 | 1.00 | — | — | |
| SCHEMBL8173650 | 0.69 | — | — | |
| SCHEMBL139924 | 0.67 | — | — | |
| SCHEMBL139925 | 0.67 | — | — | |
| SCHEMBL17146130 | 0.63 | — | — | |
| SCHEMBL131226 | 0.60 | — | — | |
| SCHEMBL8179900 | 0.60 | — | — | |
| SCHEMBL11268482 | 0.57 | — | — | |
| SCHEMBL9361504 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107406461-B | Heterocyclic alkyne derivatives and their use as mGluR5 receptor modulators | 雷科尔达蒂爱尔兰有限公司 | 2020-03-13 | — | — | CN | disclosed |
| JP-2000355585-A | PRODUCTION OF 3-(1-PROPYNYL)-2-ISOXAZOLINE | NIPPON SODA CO LTD | 2000-12-26 | — | — | JP | disclosed |