SCHEMBL6250697

SCHEMBL6250697

CCC[C](C)CC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL8694144 0.83 CES2 (0.37) TSHR
SCHEMBL4655171 0.83 TSHR (0.39) TSHR
SCHEMBL4652998 0.82 TSHR (0.30) TSHR
SCHEMBL28639197 0.78 FDPS (0.37) TSHR
SCHEMBL10493687 0.78
SCHEMBL4618906 0.78
SCHEMBL27674555 0.74
SCHEMBL3013396 0.72 TSHR (0.30) TSHR
SCHEMBL107545 0.72 CES2 (0.39) TSHR
SCHEMBL33924 0.71

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
WO-2004039768-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 WO disclosed
WO-2004031220-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed
WO-2002078686-A1 RETINYL CARBONATES IN COSMETIC AND DERMATOLOGICAL PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed
EP-0888262-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997034852-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-4761448-A CARBON MONOXIDE-OLEFIN COPOLYMERS SHELL OIL COMPANY (US) 1988-08-02 US disclosed