SCHEMBL45343

SCHEMBL45343

CCOc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.61
TSHR P16473 1/20 0.60
HTR1D P28221 2/20 0.59
SLC6A4 P31645 2/20 0.58
HRH1 P35367 1/20 0.58
KCNA3 P22001 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL27808490 0.98 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27808344 0.98 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27464937 0.98 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27808393 0.98 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL9482954 0.94 HTR1B (0.56) HTR1BTSHRHTR1DSLC6A4HRH1
Toluene SCHEMBL28016412 0.91 KCNA3 (0.53) HTR1BTSHRHTR1DSLC6A4HRH1
Bicarbonate SCHEMBL28340995 0.91 ALDH1A1 (0.67) HTR1BTSHRHTR1DKCNA3KDM4E
SCHEMBL29111560 0.89 HTR1B (0.54) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL21122175 0.88 HPRT1 (0.52) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL9872788 0.88 HPRT1 (0.52) HTR1BTSHRHTR1DSLC6A4HRH1

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 1464 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
CN-112771684-B Ink composition for manufacturing organic semiconductor device 株式会社大赛璐 2024-07-12 CN claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
US-20240052069-A1 A RESIN-COPMPOSITION AND METHOD FOR CURING A LINER RAPOLLO RESINS APS (DK) 2024-02-15 US claimed
CN-116891785-A Oil-soluble oil sludge cleaning agent, preparation method and application thereof 国家石油天然气管网集团有限公司 2023-10-17 CN claimed
CN-115960480-B Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-09-12 CN claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
EP-4045559-A1 A RESIN-COMPOSITION AND METHOD FOR CURING A LINER Rapollo Resins ApS (DK) 2022-08-24 EP claimed
CN-217067733-U A crude rectifier unit for preparing ethyl naphthalene ether 宁夏派可威生物科技有限公司 2022-07-29 CN claimed
US-4076854-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US claimed
US-4068012-A FLAVORS, PERFUMES, TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-01-10 US claimed
US-4053657-A FOODS AND FLAVOR USE OF 1-(3,3-DIMETHYL-2-NORBORNYL-2-PROPANONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4000329-A Flavoring compositions and foods containing one or more alkyl side chain methyl substituted or unsubstituted 2,2,6-trimethyl-1-cyclohexen-1-vinyl alkanoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US claimed
US-3978239-A Foodstuff and flavoring containing C1 -C6 alkyl-2-methyl-3,4-pentadienoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-31 US claimed
US-3976801-A Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-24 US claimed
US-3959508-A Flavoring compositions containing mixture of 2,2,6-trimethyl-1-cyclohexen-1-ylacetaldehyde and 2,6,6-trimethyl-1-crotonyl-1,3-cyclohexadiene INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 US claimed
US-3940499-A Food or flavor containing 2,6,6-trimethyl-1-cyclohexen-1-ylacetaldehyde INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-02-24 US claimed