⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1118591 | 0.82 | — | — | |
| SCHEMBL29378632 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16637919 | 0.80 | CHRNB2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL793721 | 0.80 | CHRNB2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL9317481 | 0.80 | CHRNB2 (0.54) | — | |
| SCHEMBL29850369 | 0.75 | CHRNB2 (0.77) | — | |
| SCHEMBL587887 | 0.75 | CHRNB2 (0.77) | — | |
| SCHEMBL17402404 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL15238605 | 0.73 | CHRNB2 (0.74) | — | |
| Hydrochloric Acid SCHEMBL4790441 | 0.73 | CHRNB2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023037253-A1 | ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS | PI INDUSTRIES LTD (IN) | 2023-03-16 | — | — | WO | disclosed |