⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7943822 | 0.68 | — | — | |
| SCHEMBL108025 | 0.64 | — | — | |
| SCHEMBL7416327 | 0.63 | ADORA2B (0.32) | — | |
| SCHEMBL9833548 | 0.61 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL6984661 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL3389545 | 0.61 | NOS1 (0.46) | — | |
| SCHEMBL4034677 | 0.60 | — | — | |
| SCHEMBL7196817 | 0.60 | — | — | |
| SCHEMBL6609504 | 0.60 | — | — | |
| SCHEMBL999273 | 0.59 | NOS1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6583141-B1 | T cell mediated rheumatic diseases | JANSSEN PHARMACEUTICA, N.V. (BE) | 2003-06-24 | — | — | US | claimed |
| US-7414048-B2 | 4,5-dihydro-isoxazole derivatives and their pharmaceutical use | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-08-19 | — | — | US | disclosed |
| EP-1119568-B1 | 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE | JANSSEN PHARMACEUTICA NV (BE) | 2004-02-18 | — | — | EP | disclosed |
| US-20040019059-A1 | 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use | FREYNE EDDY JEAN EDGARD (BE) | 2004-01-29 | — | — | US | disclosed |
| US-6583141-B1 | T cell mediated rheumatic diseases | JANSSEN PHARMACEUTICA, N.V. (BE) | 2003-06-24 | — | — | US | disclosed |
| EP-1119568-A1 | 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000021959-A1 | 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-04-20 | — | — | WO | disclosed |