SCHEMBL7058736

SCHEMBL7058736

c1ccc(-c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2B6 P20813 1/20 0.54
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
KCNH2 Q12809 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LPL P06858 1/20 0.47
LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL559934 1.00 LTA4H (0.59) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL31124 0.95 CYP3A4 (0.58) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
Hydrochloric Acid SCHEMBL27688178 0.92 CYP3A4 (0.56) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
Hydrogen Sulfide SCHEMBL27668457 0.92 CYP3A4 (0.56) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
Ammonia Solution, Strong SCHEMBL28465317 0.92 CYP3A4 (0.56) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
Hydrochloric Acid SCHEMBL8091091 0.92 CYP3A4 (0.56) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL30163538 0.92 CYP3A4 (0.56) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL7455134 0.92 LTA4H (0.67) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL28398970 0.90 CYP3A4 (0.52) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6
SCHEMBL338810 0.89 LTA4H (0.70) LTA4HCYP3A4CYP2C9CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN claimed
CN-112928221-B Crystalline organic electroluminescent diode with light-emitting layer containing nano aggregate and application thereof 中国科学院长春应用化学研究所 2023-10-24 CN claimed
CN-112928220-B Organic electroluminescent diode containing crystalline solid solution as light-emitting layer and application thereof 中国科学院长春应用化学研究所 2023-08-08 CN claimed
CN-116075199-A OLED device based on organic semiconductor single crystal charge transport layer and preparation method thereof 吉林大学 2023-05-05 CN claimed
CN-113793912-B Intrinsic polarization organic single crystal electroluminescent device with high polarization ratio and preparation method thereof 吉林大学 2022-10-21 CN claimed
CN-113793912-A Intrinsic polarization organic single crystal electroluminescent device with high polarization ratio and preparation method thereof 吉林大学 2021-12-14 CN claimed
CN-112928221-A Crystalline organic electroluminescent diode with luminescent layer containing nano aggregate and application thereof 中国科学院长春应用化学研究所 2021-06-08 CN claimed
CN-112928220-A Organic light-emitting diode containing crystalline solid solution as light-emitting layer and application 中国科学院长春应用化学研究所 2021-06-08 CN claimed
CN-111926389-A Bipolar organic single crystal grown by molecular blending, preparation method and application thereof 吉林大学 2020-11-13 CN claimed
CN-108732793-B Ultrafast optical switch realized based on double stimulated emission competition and preparation method thereof 中国科学院化学研究所 2020-05-12 CN claimed
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN disclosed
CN-112928221-B Crystalline organic electroluminescent diode with light-emitting layer containing nano aggregate and application thereof 中国科学院长春应用化学研究所 2023-10-24 CN disclosed
CN-112928220-B Organic electroluminescent diode containing crystalline solid solution as light-emitting layer and application thereof 中国科学院长春应用化学研究所 2023-08-08 CN disclosed
CN-116075199-A OLED device based on organic semiconductor single crystal charge transport layer and preparation method thereof 吉林大学 2023-05-05 CN disclosed
CN-113793912-B Intrinsic polarization organic single crystal electroluminescent device with high polarization ratio and preparation method thereof 吉林大学 2022-10-21 CN disclosed
US-4446047-A Pleochroic anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-01 US disclosed
EP-0059036-A1 Pleochroic anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-01 EP disclosed
EP-0059095-A1 Liquid crystal materials comprising pleochroic dyes The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-09-01 EP disclosed
US-4233452-A TREATMENT AND PREVENTION OF CALCIUM OXALATE UROLITHIASIS MERCK & CO., INC. (US) 1980-11-11 US disclosed
US-4207329-A Derivatives of glycolic and glyoxylic acid as inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1980-06-10 US disclosed