⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL15753249 | 0.83 | FFAR3 (0.39) | — | |
| SCHEMBL294774 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27968641 | 0.69 | — | — | |
| Fluoride SCHEMBL25376565 | 0.69 | — | — | |
| SCHEMBL15289904 | 0.69 | — | — | |
| Water SCHEMBL27968547 | 0.69 | — | — | |
| SCHEMBL20931364 | 0.69 | — | — | |
| SCHEMBL22426549 | 0.67 | — | — | |
| SCHEMBL18240475 | 0.67 | — | — | |
| SCHEMBL27969594 | 0.67 | CHRNA4 (0.47) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192613-A1 | Charged Ion Channel Blockers and Methods for Use | NOCION THERAPEUTICS INC (US) | 2023-06-22 | — | — | US | disclosed |
| EP-3551627-B1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN LA ROCHE (CH) | 2022-02-16 | — | — | EP | disclosed |
| EP-3822272-A1 | FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-05-19 | — | — | EP | disclosed |
| CN-102365279-B | Hydroxy-methyl isoxazole derivatives as GABA A modulators | HOFFMANN LA ROCHE | 2014-12-10 | — | — | CN | disclosed |
| CN-102365279-B | Hydroxy-methyl isoxazole derivatives as GABA A modulators | HOFFMANN LA ROCHE | 2014-12-10 | — | — | CN | disclosed |
| US-8901295-B2 | Inhibitors of cyclophilins and uses thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-12-02 | — | — | US | disclosed |
| EP-2773779-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSING, PROGNOSING, AND TREATING NEUROLOGICAL CONDITIONS | Population Diagnotics, Inc. (US) | 2014-09-10 | — | — | EP | disclosed |
| US-8802666-B2 | Inhibitors of cyclophilins and uses thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-08-12 | — | — | US | disclosed |
| US-20140179687-A1 | New Inhibitors of Cyclophilins and Uses Thereof | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2014-06-26 | — | — | US | disclosed |
| US-8507541-B2 | N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase | INCYTE CORPORATION (US) | 2013-08-13 | — | — | US | disclosed |
| EP-2414354-A1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| US-20110165188-A1 | N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | Incyte Corporation a Delaware corporation | 2011-07-07 | — | — | US | disclosed |
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2010112475-A1 | HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |
| WO-2010112475-A1 | HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |
| US-20100256127-A1 | SUBSTITUTED ISOXAZOLES | ROCHE PALO ALTO LLC | 2010-10-07 | — | — | US | disclosed |
| US-20090156553-A1 | PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION | BASF SE (DE) | 2009-06-18 | — | — | US | disclosed |
| CN-1084162-A | Be used to suppress the biosynthetic octahydronaphthalene oxime derivative of cholesterol, Preparation Method And The Use | SANKYO CO (JP) | 1994-03-23 | — | — | CN | disclosed |
| EP-0316783-A1 | Process for the preparation of hetero-aromatic ketones and aldehydes | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |
| EP-0004187-A1 | Heterocyclylcarbonyl derivatives of urea and their use as agents for dissolution of gallstones | PFIZER INC. (US) | 1979-09-19 | — | — | EP | disclosed |