SCHEMBL498097

SCHEMBL498097

CCCN(CCC(C)I)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CA1 P00915 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL5960902 0.82 CA12 (0.38) CA12CA2CA9TSHRMAPK1
SCHEMBL41505 0.80 CA12 (0.55) CA12CA2CA9TSHRMAPK1
Bromide SCHEMBL11753648 0.78 CA12 (0.52) CA12CA2CA9TSHRMAPK1
Hydrochloric Acid SCHEMBL10822973 0.78 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL9094986 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27888863 0.74 SLC1A2 (0.44) TSHR
SCHEMBL4719766 0.73 CA1 (0.41) CA12CA2CA9ALDH1A1CA1
SCHEMBL5133203 0.72 CA12 (0.54) CA12CA2CA9TSHRMAPK1
SCHEMBL77048 0.72 CA12 (0.46) CA12CA2CA9TSHRMAPK1
SCHEMBL28055193 0.72 CA12 (0.46) CA12CA2CA9TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5085909-A None JP disclosed
JP-63101305-A None JP disclosed
CN-116744793-B Acarid-repellent composition and acarid-repellent product 大日本除虫菊株式会社 2026-02-27 CN disclosed
WO-2025079246-A1 COATING COMPOSITION, COATING FILM, AND METHOD FOR PRODUCING COATING FILM 三菱電機株式会社 2025-04-17 WO disclosed
WO-2025079247-A1 COATING FILM, ARTICLE, AND METHOD FOR PRODUCING COATING FILM 三菱電機株式会社 2025-04-17 WO disclosed
CN-116056570-B Virus inactivating agent composition, method for enhancing virus inactivating efficacy, and method for inactivating virus 大日本除虫菊株式会社 2024-12-17 CN disclosed
CN-115023138-B Quantitative spray aerosol product for controlling specific harmful substances and method for controlling specific harmful substances using the same 大日本除虫菊株式会社 2024-05-17 CN disclosed
CN-116744793-A Acarid-repellent composition and acarid-repellent product 大日本除虫菊株式会社 2023-09-12 CN disclosed
WO-2023106385-A1 FIXED-AMOUNT SPRAY-TYPE AEROSOL PRODUCT アース製薬株式会社 2023-06-15 WO disclosed
CN-116056570-A Virus inactivating agent composition, method for enhancing virus inactivating efficacy, and method for inactivating virus 大日本除虫菊株式会社 2023-05-02 CN disclosed
EP-0953634-A1 COMPOSITION FOR TREATING POROUS ARTICLE, TREATMENT METHOD, AND USE THEREOF SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-11-03 EP disclosed
US-5916356-A CONSISTS OF A METAL COMPOUND AND A FUNGICIDE CONTAINING A TRIAZOLE GROUP SELECTED FROM AZACONAZOLE, HEXACONAZOLE AND DIFENOCONAZOLE HICKSON INTERNATIONAL PLC (GB) 1999-06-29 US disclosed
EP-0917425-A1 SOLUBILIZING BIOCIDES USING ANHYDROUS \"ONIUM\" COMPOUNDS AS SOLVENT Maynard, Nigel Paul (NZ) 1999-05-26 EP disclosed
WO-1997022246-A1 SOLUBILIZING BIOCIDES USING ANHYDROUS 'ONIUM' COMPOUNDS AS SOLVENT MAYNARD NIGEL PAUL (NZ) 1997-06-26 WO disclosed
US-5634967-A WOOD SUBSTRATE COMPRISING SYNERGISTICALLY EFFECTIVE AMOUNT OF CUPRAMMONIUM COMPOUND AND TEBUCONAZOLE TO PRESERVE WOOD HICKSON INTERNATIONAL PLC (GB) 1997-06-03 US disclosed
US-5527384-A SYNERGISTIC MIXTURE OF A CUPRAMMONIUM COMPOUND AND TEBUCONAZOLE; FUNGICIDES HICKSON INTERNATIONAL, PLC (GB) 1996-06-18 US disclosed
EP-0641164-A1 PRESERVATIVES FOR WOOD AND OTHER CELLULOSIC MATERIALS HICKSON INTERNATIONAL PLC (GB) 1995-03-08 EP disclosed
JP-H0585909-A VOLATILE ANTIBACTERIAL AND ANTIFUNGAL AGENT AND METHOD FOR PREVENTING BACTERIUM AND FUNGUS OSAKA KASEI KK 1993-04-06 JP disclosed
WO-1993002557-A1 PRESERVATIVES FOR WOOD AND OTHER CELLULOSIC MATERIALS HICKSON INTERNATIONAL PLC (GB) 1993-02-18 WO disclosed
JP-S63101305-A INDUSTRIAL ANTISEPTIC MILDEW-PROOFING AGENT KATAYAMA CHEM WORKS CO LTD 1988-05-06 JP disclosed