⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302004 | 0.85 | — | — | |
| SCHEMBL3464607 | 0.74 | — | — | |
| SCHEMBL4872377 | 0.70 | DYRK1A (0.32) | — | |
| SCHEMBL11602673 | 0.68 | — | — | |
| SCHEMBL10212282 | 0.67 | DYRK1A (0.32) | — | |
| SCHEMBL12949266 | 0.67 | DRD2 (0.31) | — | |
| SCHEMBL2310344 | 0.67 | — | — | |
| SCHEMBL22037 | 0.67 | — | — | |
| SCHEMBL831131 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL14534464 | 0.67 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978425-A2 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-02-03 | — | — | EP | claimed |
| WO-2014160592-A2 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | WO | claimed |
| US-20220332713-A1 | Monoacylglycerol Lipase Modulators | JANSSEN PHARMACEUTICA NV (BE) | 2022-10-20 | — | — | US | disclosed |
| US-10647687-B2 | Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2020-05-12 | — | — | US | disclosed |
| US-20180362475-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2018-12-20 | — | — | US | disclosed |
| EP-3217982-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |
| EP-2731952-A1 | RADIOLABELLED ROTENONE DERIVATIVES AND THEIR USE IN SPECT IMAGING | Nordion (Canada) Inc. (CA) | 2014-05-21 | — | — | EP | disclosed |
| US-20130345420-A9 | SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) | BUNCH LENNART (DK) | 2013-12-26 | — | — | US | disclosed |
| WO-2013006958-A1 | RADIOLABELLED ROTENONE DERIVATIVES AND THEIR USE IN SPECT IMAGING | NORDION (CANADA) INC. (CA) | 2013-01-17 | — | — | WO | disclosed |
| US-20120035361-A1 | SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) | BUNCH LENNART (DK) | 2012-02-09 | — | — | US | disclosed |
| US-20110144060-A1 | SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY | 2011-06-16 | — | — | US | disclosed |
| WO-2011010014-A1 | CHROMENE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2011-01-27 | — | — | WO | disclosed |
| US-20110003759-A1 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-06 | — | — | US | disclosed |
| US-20110003759-A1 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-06 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20090011994-A1 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-08 | — | — | US | disclosed |
| US-20090011994-A1 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-08 | — | — | US | disclosed |
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |