⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL288726 | 0.82 | MGLL (0.36) | — | |
| Hydrochloric Acid SCHEMBL14919371 | 0.80 | MGLL (0.35) | — | |
| SCHEMBL2697626 | 0.72 | — | — | |
| SCHEMBL25228570 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL6394343 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL13076972 | 0.69 | — | — | |
| SCHEMBL21305178 | 0.69 | — | — | |
| SCHEMBL6759923 | 0.67 | MAPT (0.34) | — | |
| SCHEMBL6551832 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL1287869 | 0.67 | MAPT (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4906277-A | Isoxazoline derivatives and plant growth regulators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-03-06 | — | — | US | disclosed |