SCHEMBL4439743

SCHEMBL4439743

CCCCCCCCCCCCOC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LPAR1 Q92633 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5709541 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL21891898 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL18699059 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL14118595 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL10717915 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL25352928 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL1740417 1.00
SCHEMBL21918937 1.00 THRB (0.42) THRBTSHRMEN1HTTKMT2A
Hydrogen Sulfide SCHEMBL27832975 0.97 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL89498 0.97

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217441-B Preparation and application of photoinitiator modified based on 2-hydroxy-2-methyl-1-phenyl-1-acetone 北京化工大学 2025-09-05 CN disclosed
CN-116217441-A Preparation and application of photoinitiator modified based on 2-hydroxy-2-methyl-1-phenyl-1-acetone 北京化工大学 2023-06-06 CN disclosed
CN-113969008-A Conductive plastic for all-vanadium redox flow battery and preparation method thereof 成都先进金属材料产业技术研究院股份有限公司 2022-01-25 CN disclosed
CN-109863024-A Mold release film 东丽薄膜先端加工股份有限公司 2019-06-07 CN disclosed
CN-103688215-B Liquid crystal sealing agent and liquid crystal display cell using the same 日本化药株式会社 2017-04-12 CN disclosed
CN-102757684-B Bei replaces oxazoline compound or Bei replaces oxazoline derivant Xerox Corp. (US) Patent Dept. 020 Xerox Square 100 Clinton Avenue Rochester New (US) 2015-11-18 CN disclosed
CN-102757679-B Comprise Bei and replace the ink composite that oxazoline compound or Bei replace oxazoline derivant Xerox Corp. (US) Patent Dept. 020 Xerox Square 100 Clinton Avenue Rochester New (US) 2015-10-28 CN disclosed
EP-2118160-A1 WATER-PERMEABLE STONE COMPOSITE MOLDED BODIES Henkel AG & Co. KGaA (DE) 2009-11-18 EP disclosed
WO-2008110222-A1 WATER-PERMEABLE STONE COMPOSITE MOLDED BODIES HENKEL AG & CO. KGAA (DE) 2008-09-18 WO disclosed
EP-1727842-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-12-06 EP disclosed
WO-2005087828-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO disclosed
CN-1118528-C Soap gel based glue stick HENKEL KGAA (DE) 2003-08-20 CN disclosed
CN-1343205-A Dimeric compounds and as inhibitors of neuraminidase BIOTA SCIENT MANAGMEENT PTY LT (AU) 2002-04-03 CN disclosed
WO-2001083398-A2 SYSTEM FOR THE RELEASE OF ACTIVE INGREDIENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-08 WO disclosed
CN-1295603-A Soap gel based glue stick HENKEL KGAA (DE) 2001-05-16 CN disclosed