⚠ 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 SCHEMBL28312859 | 0.98 | RAB9A (0.44) | — | |
| SCHEMBL27831772 | 0.81 | — | — | |
| SCHEMBL4718965 | 0.79 | ALDH1A1 (0.57) | — | |
| SCHEMBL27794939 | 0.77 | — | — | |
| SCHEMBL18021901 | 0.77 | — | — | |
| SCHEMBL27949708 | 0.77 | — | — | |
| SCHEMBL9551726 | 0.77 | — | — | |
| SCHEMBL5266703 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28251664 | 0.76 | ADRA2A (0.47) | — | |
| SCHEMBL1368828 | 0.75 | KIF11 (0.60) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-110167941-A | Substituted fused heteroaryl compounds are as kinase inhibitor and its application | 上海瑛派药业有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-109415347-A | Amide-substituted pyridyl triazole derivatives and use thereof | 拜耳制药股份公司 | 2019-03-01 | — | — | CN | disclosed |
| EP-2630196-B1 | CYANINE DYES AND THEIR CONJUGATES | LI COR INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-20170001983-A1 | TRPA1 MODULATORS | ALGOMEDIX, INC. | 2017-01-05 | — | — | US | disclosed |
| CN-102596913-B | Cannabinoid receptor modulators | 艾尼纳制药公司 | 2016-11-09 | — | — | CN | disclosed |
| US-9408924-B2 | Bioconjugates of cyanine dyes | LI-COR, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| CN-103119028-B | 1,2,4-triazolone derivative | TAISHO PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |
| CN-103539785-B | Cannibinoid receptor modulators | ARENA PHARM INC. (US) | 2015-09-23 | — | — | CN | disclosed |
| EP-2630196-A1 | CYANINE DYES AND THEIR CONJUGATES | LI-COR, INC. (US) | 2013-08-28 | — | — | EP | disclosed |
| CN-103119028-A | 1,2,4-Triazolone Derivative | TAISHO PHARMACEUTICAL CO LTD | 2013-05-22 | — | — | CN | disclosed |
| US-8304556-B2 | Thiazolyl-dihydro-indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| US-20120108567-A1 | Thiazolyl-Dihydro-Indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| WO-2012054749-A1 | CYANINE DYES AND THEIR CONJUGATES | LI-COR, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| US-20110118208-A1 | Thiazolyl-Dihydro-Indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-19 | — | — | US | disclosed |
| WO-2010127856-A1 | SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2010-11-11 | — | — | WO | disclosed |
| CN-1678581-A | Indolin phenylsulfonamide derivatives | BAYER HEALTHCARE AG (DE) | 2005-10-05 | — | — | CN | disclosed |
| CN-1218472-A | Pharmaceutically useful compounds | ASTRA PHARMA PROD (GB) | 1999-06-02 | — | — | CN | disclosed |
| CN-1067892-A | The preparation method of new pyrrolo-[2,3-b] pyridine derivate | ASTRA AB (SE) | 1993-01-13 | — | — | CN | disclosed |