SCHEMBL3021179

SCHEMBL3021179

O=[C]c1ccccc1CBr

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31

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
SCHEMBL9744164 0.82 TDP1 (0.39) CYP1A1CYP1A2CYP1B1
SCHEMBL4170188 0.78 TRPA1 (0.36) TRPA1ALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL535892 0.78 GABRA1 (0.45) ALDH1A1GABRA1GABRB2
SCHEMBL3644028 0.76 PNMT (0.44) GABRA1GABRB2
SCHEMBL29513232 0.76 CYP19A1 (0.46) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL899 0.76 CYP19A1 (0.46) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL1379506 0.76 ALDH1A1 (0.42) ALDH1A1TSHRGABRA1GABRB2
SCHEMBL873220 0.76 FFAR1 (0.44) ALDH1A1TSHR
SCHEMBL9317847 0.76 FFAR1 (0.31) ALDH1A1GABRA1GABRB2
SCHEMBL1465518 0.76 GABRA1 (0.30) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US claimed
CN-104007629-B Liquid developer, image forming apparatus and method, developer box and handle box 富士施乐株式会社 2019-11-29 CN disclosed
CN-106019868-B Electrophtography photosensor 柯尼卡美能达株式会社 2019-11-08 CN disclosed
CN-105527807-B Toner for developing electrostatic latent image 柯尼卡美能达株式会社 2019-11-05 CN disclosed
CN-105527805-B Electrostatic image developing toner Koyanagi Miyoshi (JP) 2019-11-01 CN disclosed
CN-110297404-A Toner, developer, toner cartridge, process cartridge, image forming apparatus and image forming method 富士施乐株式会社 2019-10-01 CN disclosed
CN-110083024-A Toner 佳能株式会社 2019-08-02 CN disclosed
CN-109426103-A Developing toner for electrostatic latent images and two-component developing agent 柯尼卡美能达株式会社 2019-03-05 CN disclosed
CN-104423186-B Developing toner for electrostatic latent images 柯尼卡美能达株式会社 2018-12-21 CN disclosed
CN-108873633-A Toner 佳能株式会社 2018-11-23 CN disclosed
CN-1062711-C Pesticide and fungicide of unsaturated oximido ethers SHENYANG CHEMICAL INST MINISTR (CN) 2001-03-07 CN disclosed
CN-1191670-A Pesticide and fungicide of unsaturated oximido ethers SHENYANG CHEMICAL INST MINISTR (CN) 1998-09-02 CN disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
US-5430139-A Viricides; effective against herpes and cytomegalo viruses YAMASA SHOYU KABUSHIKI KAISHA (JP) 1995-07-04 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed