⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1258360 | 1.00 | — | — | |
| SCHEMBL28587073 | 1.00 | — | — | |
| SCHEMBL973943 | 0.92 | GPR84 (0.60) | — | |
| SCHEMBL6056821 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL7172857 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL8984535 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL3793029 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL6056894 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL945898 | 0.90 | GPR84 (0.64) | — | |
| SCHEMBL8984407 | 0.90 | GPR84 (0.64) | — |
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-110343728-B | Method for synthesizing hexahydropyridazine-3-carboxylic acid through biotransformation | 浙江大学 | 2021-10-08 | — | — | CN | disclosed |
| US-20150050235-A1 | COMPOSITION FOR ATTRACTING MALE BLUEBERRY SPANWORM MOTH | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES C (CA) | 2015-02-19 | — | — | US | disclosed |