SCHEMBL1968152

SCHEMBL1968152

CC(C)(C)C(=O)Cn1cncn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
FDPS P14324 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11096568 0.84 EGLN3 (0.47) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9619345 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9770742 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10332748 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10729444 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10363553 0.82 MEN1 (0.46) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10991658 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27975527 0.82 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10362559 0.82 MEN1 (0.40) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10407825 0.80 EGLN3 (0.40) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777565-B Preparation method of chlorzodone 江苏七洲绿色化工股份有限公司 2022-03-18 CN claimed
CN-112010812-A Transposition method of 3, 3-dimethyl-1- (1H-1,3, 4-triazole-1-yl) butan-2-one 江苏七洲绿色化工股份有限公司 2020-12-01 CN claimed
CN-111777565-A Preparation method of chlorzodone 江苏七洲绿色化工股份有限公司 2020-10-16 CN claimed
CN-102875543-A 4-tertiary butyl-5-(1, 2, 4-triazole-1-base)-2-aminothiazole preparation method UNIV HUNAN 2013-01-16 CN claimed
EP-0248253-B1 PROCESS FOR THE PREPARATION OF AN AZOLE-DERIVATIVE BAYER AG (DE) 1990-09-26 EP claimed
EP-0297393-A2 1-Phenoxy-3-triazolyl-hex-1-ene-derivatives BAYER AG (DE) 1989-01-04 EP claimed
EP-0248253-A2 Process for the preparation of an azole-derivative BAYER AG (DE) 1987-12-09 EP claimed
JP-56005467-A None JP disclosed
CN-221078171-U Sampling detection device for paclobutrazol chlorination reaction 托球生物科技(兰州)有限公司 2024-06-04 CN disclosed
CN-117658934-A Preparation method of high-purity chlorazolone 辽宁优创植物保护有限公司 2024-03-08 CN disclosed
CN-113004247-B Triazole derivative and application thereof 沈阳化工研究院有限公司 2023-04-07 CN disclosed
CN-114685211-B Pesticide-fertilizer composition and application thereof 沈阳化工研究院有限公司 2023-01-24 CN disclosed
CN-218048423-U Centrifuge is used in ammonium salt product production 内蒙古百灵科技有限公司 2022-12-16 CN disclosed
EP-0016323-A1 1-Allyltriazole derivatives, process for their preparation and their use as plant protecting agents BAYER AG (DE) 1980-10-01 EP disclosed
US-4205075-A Processes and composition for combating fungi IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-05-27 US disclosed
US-4203995-A 1-Phenyl-2-azolyl-4,4-dimethyl-1-penten-3-ols and the fungicidal use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0007506-A1 Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0002678-A2 Azolylalkyl-pyridinyl ethers, process for their preparation and their use as fungicides BAYER AG (DE) 1979-07-11 EP disclosed
EP-0002331-A2 Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed