SCHEMBL819626

SCHEMBL819626

N#CC(c1ccccc1)C(C#N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
TSHR P16473 3/20 0.56
TRPA1 O75762 1/20 0.56
MAP2K1 Q02750 1/20 0.50
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6309534 1.00 ESR1 (0.56) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL1341956 0.87 TSHR (0.50) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL955278 0.85 TRPA1 (0.48) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL11019339 0.85 TSHR (0.48) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL8102784 0.83 TSHR (0.58) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL17947371 0.83 DPP4 (0.56) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL1343606 0.83 ESR1 (0.64) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL5972955 0.83 TRPA1 (0.58) ESR1ESR2TSHRTRPA1MAP2K1
Hydrochloric Acid SCHEMBL5299628 0.83 TRPA1 (0.46) ESR1ESR2TSHRTRPA1MAP2K1
SCHEMBL6362392 0.83 TSHR (0.58) ESR1ESR2TSHRTRPA1MAP2K1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487208-A Calcium alginate AIE fluorescent microsphere prepared based on spray method and preparation method thereof 江西省科学院微生物研究所(江西省流域生态研究所) 2024-02-02 CN claimed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-12435181-B2 Formulations capable of reacting with or removal of molecular oxygen LI SHENSHEN (US) 2025-10-07 US disclosed
CN-120202229-A Curable polymer compound and resin composition containing the same 日本化药株式会社 2025-06-24 CN disclosed
CN-117487208-A Calcium alginate AIE fluorescent microsphere prepared based on spray method and preparation method thereof 江西省科学院微生物研究所(江西省流域生态研究所) 2024-02-02 CN disclosed
US-20220235174-A1 Formulations capable of reacting with or removal of molecular oxygen LI ZHENZHEN (CN) 2022-07-28 US disclosed
CN-113966271-A Agent capable of reacting with or removing oxygen molecules 李蓁蓁 2022-01-21 CN disclosed
EP-3924160-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN Finite Research Ltd (GB) 2021-12-22 EP disclosed
WO-2020154728-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN LI SHENSHEN (US) 2020-07-30 WO disclosed
EP-3027596-B1 COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION ENI SPA (IT) 2018-11-21 EP disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
EP-1381633-B1 SYNTHESIS OF VINYL POLYMERS BY CONTROLLED RADICAL POLYMERIZATION PPG IND OHIO INC (US) 2009-02-25 EP disclosed
US-7351781-B2 Synthesis of vinyl polymers by controlled radical polymerization PPG INDUSTRIES OHIO, INC. (US) 2008-04-01 US disclosed
US-20050254319-A1 Polymer bound donor-acceptor-donor compounds and their use in a 3-dimensional optical memory MEMPILE INC. (US) 2005-11-17 US disclosed
US-20050131178-A1 Synthesis of vinyl polymers by controlled radical polymerization WHITE DANIELA (US) 2005-06-16 US disclosed
US-6875832-B2 Synthesis of vinyl polymers by controlled radical polymerization PPG INDUSTRIES OHIO, INC. (US) 2005-04-05 US disclosed
EP-1490330-A2 POLYMER BOUND DONOR-ACCEPTOR-DONOR COMPOUNDS AND THEIR USE IN A 3-DIMENSIONAL OPTICAL MEMORY Mempile Inc. (US) 2004-12-29 EP disclosed
WO-2003070689-A2 POLYMER BOUND DONOR-ACCEPTOR-DONOR COMPOUNDS AND THEIR USE IN A 3-DIMENSIONAL OPTICAL MEMORY MEMPILE INC. (US) 2003-08-28 WO disclosed
US-20030018151-A1 Synthesis of vinyl polymers by controlled radical polymerization PPG INDUSTRIES OHIO, INC. 2003-01-23 US disclosed