SCHEMBL2033401

SCHEMBL2033401

CCC(C=O)CCC(C)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13873167 0.78 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL17715108 0.78 TSHR (0.70) TSHRSMN1; SMN2
SCHEMBL1516608 0.77 TP53 (0.33) TSHR
SCHEMBL9302609 0.75
SCHEMBL9770379 0.73 TSHR (0.58) TSHRSMN1; SMN2
SCHEMBL1067841 0.72
SCHEMBL11274011 0.72
SCHEMBL9883879 0.72 TSHR (0.56) TSHRSMN1; SMN2
SCHEMBL5087493 0.70 TSHR (0.43) TSHRSMN1; SMN2
SCHEMBL14474343 0.70 TSHR (0.54) TSHRSMN1; SMN2

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-0252378-B1 ALIPHATIC ALDEHYDES, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION AS PERFUME AGENTS BASF Aktiengesellschaft (DE) 1989-09-27 EP claimed
US-4758548-A Novel aliphatic aldehydes and their preparation BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US claimed
EP-0252378-A1 Aliphatic aldehydes, method for their production and their application as perfume agents BASF Aktiengesellschaft (DE) 1988-01-13 EP claimed
WO-2011067386-A2 METHOD FOR PRODUCING ALIPHATIC ALDEHYDES BASF SE (DE) 2011-06-09 WO disclosed
EP-0252378-B1 ALIPHATIC ALDEHYDES, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION AS PERFUME AGENTS BASF Aktiengesellschaft (DE) 1989-09-27 EP disclosed
US-4758548-A Novel aliphatic aldehydes and their preparation BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4758548-A Novel aliphatic aldehydes and their preparation BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0252378-A1 Aliphatic aldehydes, method for their production and their application as perfume agents BASF Aktiengesellschaft (DE) 1988-01-13 EP disclosed
EP-0252378-A1 Aliphatic aldehydes, method for their production and their application as perfume agents BASF Aktiengesellschaft (DE) 1988-01-13 EP disclosed