⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL805249 | 1.00 | — | — | |
| SCHEMBL13227766 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2523807 | 0.98 | GRIK1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2519313 | 0.98 | GRIK1 (0.38) | — | |
| SCHEMBL24473443 | 0.82 | — | — | |
| SCHEMBL15779623 | 0.82 | — | — | |
| SCHEMBL12588684 | 0.82 | — | — | |
| SCHEMBL12511117 | 0.80 | GNPAT (0.44) | — | |
| SCHEMBL13494846 | 0.80 | MMP2 (0.37) | — | |
| SCHEMBL31717069 | 0.80 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3965070-A | Crosslinked vinylcarbonyl resins having α-amino acid functionality | ROHM AND HAAS COMPANY (US) | 1976-06-22 | — | — | US | claimed |
| WO-2023198884-A1 | LIGAND-DRUG-CONJUGATES WITH IMPROVED PHARMACOKINETIC AND DRUG RELEASE PROPERTIES | DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) | 2023-10-19 | — | — | WO | disclosed |
| US-20210179580-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION | Jubilant Prodel LLC | 2021-06-17 | — | — | US | disclosed |
| US-20180148461-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-31 | — | — | US | disclosed |
| US-9902742-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20170158712-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-08 | — | — | US | disclosed |
| US-9611274-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-04 | — | — | US | disclosed |
| US-9376444-B2 | Dihydropyridone P1 as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-06-28 | — | — | US | disclosed |
| US-20160068544-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-03-10 | — | — | US | disclosed |
| US-9221818-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-29 | — | — | US | disclosed |
| US-20150166550-A1 | DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-06-18 | — | — | US | disclosed |
| US-20140221338-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-07 | — | — | US | disclosed |
| EP-2542537-B1 | NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE | PHENEX PHARMACEUTICALS AG (DE) | 2014-05-21 | — | — | EP | disclosed |
| US-20140038969-A1 | DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-02-06 | — | — | US | disclosed |
| US-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-7501406-B2 | Fluoro substituted 2-oxo-azepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | US | disclosed |
| US-20070037789-A1 | 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | US | disclosed |
| US-3965070-A | Crosslinked vinylcarbonyl resins having α-amino acid functionality | ROHM AND HAAS COMPANY (US) | 1976-06-22 | — | — | US | disclosed |