⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2052822 | 0.76 | — | — | |
| SCHEMBL1509437 | 0.73 | — | — | |
| SCHEMBL632905 | 0.71 | — | — | |
| SCHEMBL2785525 | 0.71 | — | — | |
| SCHEMBL28791608 | 0.68 | — | — | |
| SCHEMBL18838194 | 0.67 | PARP1 (0.42) | — | |
| SCHEMBL12405361 | 0.67 | — | — | |
| SCHEMBL22686237 | 0.66 | TAAR1 (0.58) | — | |
| SCHEMBL739 | 0.66 | CYP2C19 (0.32) | — | |
| SCHEMBL8158055 | 0.64 | ADORA2B (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12528802-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2026-01-20 | — | — | US | disclosed |
| US-20220274982-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2022-09-01 | — | — | US | disclosed |
| EP-4005638-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2022-06-01 | — | — | EP | disclosed |
| WO-2021064141-A1 | INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B | TOLREMO THERAPEUTICS AG (CH) | 2021-04-08 | — | — | WO | disclosed |
| US-7985748-B2 | ALPHA2C adrenoreceptor agonists | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2011-07-26 | — | — | US | disclosed |
| EP-1934203-B1 | 3,4-dihydro-2H-benzo[1,4]oxazine and 3,4-dihydro-2H-benzo[1,4]thiazine COMPOUNDS AS ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORP (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20100173823-A1 | ALPHA2C ADRENORECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2010-07-08 | — | — | US | disclosed |
| EP-2194986-A1 | 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2010-06-16 | — | — | EP | disclosed |
| US-7700592-B2 | α2C adrenoreceptor agonists | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| WO-2008100463-A1 | 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2008-08-21 | — | — | WO | disclosed |
| EP-1934203-A2 | ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2008-06-25 | — | — | EP | disclosed |
| US-20080039439-A1 | Alpha2C adrenoreceptor agonists | SCHERING CORPORATION | 2008-02-14 | — | — | US | disclosed |
| US-20070093477-A1 | Alpha2C adrenoreceptor agonists | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2007-04-26 | — | — | US | disclosed |
| WO-2007024949-A2 | ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2007-03-01 | — | — | WO | disclosed |