⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16704261 | 0.67 | — | — | |
| SCHEMBL17185682 | 0.59 | — | — | |
| SCHEMBL7279168 | 0.57 | — | — | |
| SCHEMBL309103 | 0.57 | — | — | |
| SCHEMBL603440 | 0.54 | — | — | |
| SCHEMBL7810598 | 0.54 | — | — | |
| SCHEMBL20588004 | 0.54 | — | — | |
| SCHEMBL17675370 | 0.49 | — | — | |
| SCHEMBL5146 | 0.38 | — | — | |
| SCHEMBL8069298 | 0.35 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023086539-A2 | BCAT2 INHIBITORS | AGIOS PHARMACEUTICALS, INC. (US) | 2023-05-19 | — | — | WO | disclosed |
| US-20220119371-A1 | COMPOUND, COMPOSITIONS, AND METHODS | DENALI THERAPEUTICS INC. (US) | 2022-04-21 | — | — | US | disclosed |
| US-11214565-B2 | Compound, compositions, and methods | DENALI THERAPEUTICS INC. (US) | 2022-01-04 | — | — | US | disclosed |
| US-20180327391-A1 | COMPOUND, COMPOSITIONS, AND METHODS | DENALI THERAPEUTICS INC. | 2018-11-15 | — | — | US | disclosed |
| EP-1364946-B1 | ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2010-11-24 | — | — | EP | disclosed |
| EP-2186410-A1 | Isoxazoline derivative and herbicide comprising the same as active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-05-19 | — | — | EP | disclosed |
| US-7238689-B2 | Isoxazoline derivative and herbicide comprising the same as active ingredient | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-07-03 | — | — | US | disclosed |