⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL759271 | 0.77 | — | — | |
| SCHEMBL26011954 | 0.75 | ABL1 (0.40) | — | |
| SCHEMBL82304 | 0.74 | — | — | |
| SCHEMBL4253816 | 0.72 | — | — | |
| SCHEMBL2036063 | 0.72 | NOTUM (0.48) | — | |
| SCHEMBL30099805 | 0.72 | NOTUM (0.48) | — | |
| SCHEMBL2629264 | 0.71 | HCAR3 (0.43) | — | |
| SCHEMBL21017414 | 0.71 | SYK (0.38) | — | |
| SCHEMBL15382065 | 0.71 | HCAR3 (0.43) | — | |
| SCHEMBL31520440 | 0.71 | UHRF1 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170008877-A1 | BICYCLIC LACTAMS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2017-01-12 | — | — | US | disclosed |
| US-8188083-B2 | Triazolopyridazines | ABBOTT LABORATORIES (US) | 2012-05-29 | — | — | US | disclosed |
| US-20090270402-A1 | Novel triazolopyridazines | ABBVIE INC. | 2009-10-29 | — | — | US | disclosed |
| WO-2007144579-A1 | N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS CHK1 INHIBITORS FOR THE TREATMENT OF CANCER | SENTINEL ONCOLOGY LIMITED (GB) | 2007-12-21 | — | — | WO | disclosed |
| US-7307164-B2 | β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-12-11 | — | — | US | disclosed |
| EP-1490335-B1 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2007-09-19 | — | — | EP | disclosed |
| EP-1490335-A4 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2006-02-08 | — | — | EP | disclosed |
| US-20050107390-A1 | Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. | 2005-05-19 | — | — | US | disclosed |
| EP-1490335-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003082817-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |