⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28001389 | 0.97 | — | — | |
| SCHEMBL27014981 | 0.69 | — | — | |
| SCHEMBL10050841 | 0.64 | — | — | |
| SCHEMBL17673530 | 0.62 | — | — | |
| SCHEMBL13245890 | 0.61 | PNMT (0.31) | — | |
| SCHEMBL16908226 | 0.61 | PNMT (0.31) | — | |
| Hydrochloric Acid SCHEMBL21957165 | 0.60 | — | — | |
| SCHEMBL7936305 | 0.60 | PNMT (0.32) | — | |
| Hydrochloric Acid SCHEMBL22686461 | 0.60 | — | — | |
| SCHEMBL15733972 | 0.58 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478631-B | The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate | 四川科伦药物研究院有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-106478631-A | The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate | 四川科伦药物研究院有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-102762549-B | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-102686591-B | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | JIANGSU HANSOH PHARMACEUTICAL | 2014-03-19 | — | — | CN | disclosed |
| CN-102131810-B | Diketone fused azolopiperidines and azolopiperazines as anti-HIV agents | BRISTOL MYERS SQUIBB CO | 2014-02-26 | — | — | CN | disclosed |
| CN-103030653-A | Heteroarylopyrimidine derivative, medicinal salt thereof, methods for preparing heteroarylopyrimidine derivative and medicinal salt thereof and medical applications of heteroarylopyrimidine derivative and medicinal salt thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-04-10 | — | — | CN | disclosed |
| CN-102762549-A | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-10-31 | — | — | CN | disclosed |
| CN-102686591-A | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-09-19 | — | — | CN | disclosed |
| CN-101014598-B | Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME | 2012-06-13 | — | — | CN | disclosed |
| CN-102372716-A | Phthalazone derivative, its preparation method and application in medicine thereof | JIANGSU HENGRUI MEDICINE CO | 2012-03-14 | — | — | CN | disclosed |
| CN-102372698-A | Phthalazinone derivative and its preparation method and use in medicine | JIANGSU HENGRUI MEDICINE CO | 2012-03-14 | — | — | CN | disclosed |
| CN-102131810-A | Diketone fused azolopiperidines and azolopiperazines as anti-hiv agents | BRISTOL MYERS SQUIBB CO | 2011-07-20 | — | — | CN | disclosed |
| CN-101389630-A | Protein kinase inhibitors | ABBOTT LAB (US) | 2009-03-18 | — | — | CN | disclosed |
| EP-2032140-A1 | PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2009-03-11 | — | — | EP | disclosed |
| CN-101263107-A | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBOTT LAB (US) | 2008-09-10 | — | — | CN | disclosed |
| WO-2007138355-A1 | PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-12-06 | — | — | WO | disclosed |
| CN-101014598-A | Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2007-08-08 | — | — | CN | disclosed |