⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27667806 | 0.83 | RAB9A (0.36) | — | |
| SCHEMBL7426785 | 0.78 | — | — | |
| SCHEMBL4769454 | 0.78 | POLB (0.34) | — | |
| SCHEMBL14230450 | 0.78 | — | — | |
| SCHEMBL5728535 | 0.75 | RAB9A (0.36) | — | |
| SCHEMBL5728796 | 0.75 | RAB9A (0.39) | — | |
| SCHEMBL17260795 | 0.74 | POLB (0.35) | — | |
| SCHEMBL8315675 | 0.71 | PTGS1 (0.38) | — | |
| SCHEMBL27474774 | 0.71 | HSD17B10 (0.40) | — | |
| SCHEMBL9019517 | 0.71 | PTGS1 (0.38) | — |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102079743-B | Dipeptidyl peptidase inhibitors | 武田药品工业株式会社 | 2020-08-25 | — | — | CN | disclosed |
| CN-102134229-B | Dipeptidyl peptidase inhibitors | 武田药品工业株式会社 | 2020-08-04 | — | — | CN | disclosed |
| CN-102134231-B | Dipeptidyl peptidase inhibitors | 武田药品工业株式会社 | 2020-08-04 | — | — | CN | disclosed |
| CN-102134230-B | Dipeptidyl peptidase inhibitors | 武田药品工业株式会社 | 2019-06-28 | — | — | CN | disclosed |
| US-8329900-B2 | Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; preparing, for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-8288539-B2 | Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-16 | — | — | US | disclosed |
| US-8222411-B2 | Dipeptidyl peptidase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-17 | — | — | US | disclosed |
| US-8188275-B2 | hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-29 | — | — | US | disclosed |
| US-8173663-B2 | Dipeptidyl peptidase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-08 | — | — | US | disclosed |
| US-7906523-B2 | retrovirus inhibor; anticarcinogenic, antidiabetic agent, immunosuppressant, autoimmune diseases; 2-{6-[3(R)-Amino-piperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-4-fluoro-benzonitrile; type 2 diabetes mellitus, impaired glucose tolerance, obesity, multiple sclerosis | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-15 | — | — | US | disclosed |
| US-20050065148-A1 | Dipeptidyl peptidase inhibitors | SYRRX, INC. | 2005-03-24 | — | — | US | disclosed |
| WO-2005016911-A1 | 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-02-24 | — | — | WO | disclosed |
| WO-2005016911-A1 | 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-02-24 | — | — | WO | disclosed |
| EP-1506967-A1 | Dipeptidyl peptidase inhibitors | Syrrx, Inc. (US) | 2005-02-16 | — | — | EP | disclosed |
| US-20040204421-A1 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. | 2004-10-14 | — | — | US | disclosed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020013460-A1 | Condensed pyridine compound | EISAI CO., LTD | 2002-01-31 | — | — | US | disclosed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |