⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2524287 | 0.93 | SLC6A4 (0.30) | — | |
| SCHEMBL2523759 | 0.92 | — | — | |
| SCHEMBL15641076 | 0.90 | CA1 (0.31) | — | |
| SCHEMBL2521359 | 0.86 | SLC6A4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2519027 | 0.85 | — | — | |
| SCHEMBL2022748 | 0.83 | RECQL (0.30) | — | |
| SCHEMBL978710 | 0.83 | — | — | |
| SCHEMBL2523822 | 0.83 | — | — | |
| SCHEMBL2524706 | 0.82 | F10 (0.34) | — | |
| SCHEMBL27964625 | 0.82 | RECQL (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2556060-A1 | SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES | AH USA 42 LLC (US) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011124998-A1 | SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES | PFIZER INC. (US) | 2011-10-13 | — | — | WO | disclosed |
| US-20110251247-A1 | SUBSTITUTED ISOXAZOLINE DERIVATIVES | PFIZER INC. (US) | 2011-10-13 | — | — | US | disclosed |