⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3891878 | 0.78 | GABRR1 (0.50) | — | |
| SCHEMBL24494886 | 0.76 | — | — | |
| SCHEMBL13378714 | 0.76 | GABRR1 (0.42) | — | |
| Fluorobenzene SCHEMBL14798049 | 0.75 | HTR2C (0.48) | — | |
| SCHEMBL7634046 | 0.74 | TRPA1 (0.39) | — | |
| SCHEMBL7571291 | 0.74 | TRPA1 (0.43) | — | |
| SCHEMBL22482026 | 0.73 | — | — | |
| SCHEMBL27353535 | 0.73 | — | — | |
| SCHEMBL6615715 | 0.73 | — | — | |
| SCHEMBL4788629 | 0.72 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555565-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-114555565-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |
| WO-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| EP-2767536-B1 | Isoxazolo-pyridine derivatives | HOFFMANN LA ROCHE (CH) | 2015-09-02 | — | — | EP | disclosed |
| US-9073908-B2 | Isoxazolo-pyridine derivatives | ROCHE PALO ALTO LLC (US) | 2015-07-07 | — | — | US | disclosed |
| EP-2227467-B1 | ISOXAZOLO-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| US-8877783-B2 | Isoxazolo-pyridine derivatives | ROCHE PALO ALTO LLC (US) | 2014-11-04 | — | — | US | disclosed |
| US-8877782-B2 | Isoxazolo-pyridine derivatives | ROCHE PALO ALTO LLC (US) | 2014-11-04 | — | — | US | disclosed |
| US-8846719-B2 | Isoxazolo-pyridine derivatives | ROCHE PALO ALTO LLC (US) | 2014-09-30 | — | — | US | disclosed |
| EP-2767536-A1 | ISOXAZOLO-PYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2014-08-20 | — | — | EP | disclosed |
| US-20130274469-A1 | ISOXAZOLO-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-10-17 | — | — | US | disclosed |
| US-8518974-B2 | Isoxazolo-pyridine derivatives | Hoffmann-La Roche Inc (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120184538-A1 | ISOXAZOLO-PYRIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-07-19 | — | — | US | disclosed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| EP-2227467-A1 | ISOXAZOLO-PYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009071476-A1 | ISOXAZOLO-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-11 | — | — | WO | disclosed |
| US-20090143371-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES | ROCHE PALO ALTO LLC | 2009-06-04 | — | — | US | disclosed |