SCHEMBL51908

SCHEMBL51908

CC[N+](CC)(C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNA1 Q09470 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PMP22 Q01453 1/20 0.31
ATM Q13315 1/20 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
Bromide SCHEMBL28460603 0.96 TSHR (0.31) TSHRNFKB1KCNA1
SCHEMBL19409368 0.87
SCHEMBL16168029 0.79 TSHR (0.37) TSHR
SCHEMBL1834022 0.79 SLC22A1 (0.37) TSHR
SCHEMBL9422179 0.69 TSHR (0.41) TSHR
SCHEMBL1841104 0.69 SLC22A1 (0.41) TSHR
Water SCHEMBL11564722 0.67 TSHR (0.39) TSHR
Hydrochloric Acid SCHEMBL11582372 0.67 TSHR (0.39) TSHRKDM4EPMP22ATM
Bromide SCHEMBL28513258 0.67 TSHR (0.39) TSHR
SCHEMBL145014 0.67 TSHR (0.33) TSHRNFKB1KCNA1KDM4EPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306577-A Preparation method of polyethylene glycol 安徽昊帆生物有限公司 2025-01-14 CN claimed
CN-118613517-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-09-06 CN claimed
WO-2024165361-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-08-15 WO claimed
WO-2023138938-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2023-07-27 WO claimed
CN-111606891-B (1,1,1-trichloro-2) carbamate derivative and preparation method and application thereof 中南大学 2023-01-17 CN claimed
CN-115611867-A (1, 1-trichloro-2) carbamate derivatives, and preparation method and application thereof 中南大学 2023-01-17 CN claimed
CN-112121852-B Catalyst composition and use of catalyst composition or catalyst for catalyzing nucleophilic substitution reaction 中山大学 2021-09-24 CN claimed
CN-107652355-B Liquid phase synthesis method of skin-brightening peptide 陕西慧康生物科技有限责任公司 2021-06-04 CN claimed
CN-112121852-A Catalyst composition and use of catalyst composition or catalyst for catalyzing nucleophilic substitution reaction 中山大学 2020-12-25 CN claimed
CN-112110863-A Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound 中山大学 2020-12-22 CN claimed
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP claimed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO claimed
CN-100543057-C Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2009-09-23 CN claimed
EP-1727842-B1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF BASF SE (DE) 2008-12-17 EP claimed
US-20070197759-A1 Method for the production of polyisocyanates comprising isocyanurate groups and use therof BASF AKTIENGESELLSCHAFT (DE) 2007-08-23 US claimed
CN-1930200-A Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2007-03-14 CN claimed
EP-1727842-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-12-06 EP claimed
WO-2005087828-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed
WO-2003053987-A1 METHOD FOR PREPARING SURFACTANT COMPOUNDS FROM POLYOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-07-03 WO claimed
US-6228986-B1 REDUCTIVE ALKYLATION OF ALPHA-NITROGEN OF RESIN-BOUND PROTECTED LYSINE, ACYLATION WITH PROTECTED-AMINO ACID, DEBLOCKING, ACYLATING WITH SUBSTITUTED SUCCINIC ANHYDRIDE, REMOVING PROTECTION FROM LYSINE, THEN CYCLIZATION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-05-08 US claimed