SCHEMBL21582020

SCHEMBL21582020

CCCCCCCC(=O)c1cccc(C#N)c1I

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 2/20 0.44
CES2 O00748 2/20 0.41
HSD17B3 P37058 6/20 0.41
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
LMNA P02545 1/20 0.37
CES1 P23141 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
SCHEMBL29581863 1.00 ALDH1A1 (0.47) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL28464696 0.85 TSHR (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL28468474 0.85 TSHR (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL10597212 0.85 TSHR (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL31356505 0.83 HTT (0.47) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL20503857 0.83 HTT (0.47) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL8462996 0.79 TSHR (0.57) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL30350086 0.79 TSHR (0.57) ALDH1A1HTTMEN1MAPTKMT2A
Octanoic Acid SCHEMBL28916428 0.78 GPR84 (0.45) ALDH1A1MEN1KMT2ATSHRFFAR1
SCHEMBL15687289 0.77 TSHR (0.49) ALDH1A1HTTMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 CN claimed
WO-2026098107-A1 FUSED HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2026-05-15 WO disclosed
WO-2023217276-A1 HETEROCYCLIC SUBSTITUTED AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION 青岛清原化合物有限公司 2023-11-16 WO disclosed
WO-2023217275-A1 HETEROCYCLE-SUBSTITUTED AROMATIC COMPOUND, METHOD FOR PREPARING SAME, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2023-11-16 WO disclosed
WO-2023202364-A1 HERBICIDAL COMPOSITION COMPRISING PYRIMIDINE FORMYL OXIME DERIVATIVE AND USE THEREOF 青岛清原作物科学有限公司 2023-10-26 WO disclosed
WO-2023197899-A1 HERBICIDAL COMPOSITION CONTAINING FUSED RING-SUBSTITUTED AROMATIC COMPOUND AND USE THEREOF 青岛清原作物科学有限公司 2023-10-19 WO disclosed
CN-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed
CN-115697059-A Active compound combinations 拜耳公司 2023-02-03 CN disclosed
CN-115551352-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed
CN-113557232-A Specific substituted 3- (2-alkoxy-6-alkyl-4-propynylphenyl) -3-pyrrolin-2-ones and their use as herbicides 拜耳公司 2021-10-26 CN disclosed
WO-2020133403-A1 SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-07-02 WO disclosed
CN-111356368-A Herbicidally active bicyclic benzamides 拜耳公司 2020-06-30 CN disclosed
WO-2020124531-A1 TERNARY HERBICIDAL COMPOSITION CONTAINING CYCLOPYRIMORATE AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-06-25 WO disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
WO-2020062337-A1 HERBICIDAL COMPOSITION CONTAINING CLOMAZONE DICHLORIDE AND USE THEREOF 青岛清原化合物有限公司 2020-04-02 WO disclosed
WO-2020019430-A1 TERNARY HERBICIDAL COMPOSITION CONTAINING HPPD INHIBITOR HERBICIDE AND USE THEREOF 青岛清原化合物有限公司 2020-01-30 WO disclosed
WO-2020015105-A1 BINARY HERBICIDAL COMPOSITION CONTAINING HPPD-INHIBITOR HERBICIDE AND USE THEREOF 青岛清原化合物有限公司 2020-01-23 WO disclosed
WO-2020010690-A1 TERNARY HERBICIDAL COMPOSITION CONTAINING CYPYRAFLUONE AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-01-16 WO disclosed
WO-2019228215-A1 TERNARY HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 CN disclosed