SCHEMBL2032913

SCHEMBL2032913

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.30

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
SCHEMBL2032912 1.00 BTN3A1 (0.30) BTN3A1
SCHEMBL2035512 0.91
SCHEMBL2035514 0.91
SCHEMBL9580620 0.78
SCHEMBL9580616 0.78
SCHEMBL2031620 0.77
SCHEMBL2031621 0.77
SCHEMBL1781751 0.77 PTPN1 (0.39)
SCHEMBL1781752 0.77 PTPN1 (0.39)
SCHEMBL9069319 0.76

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 11 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-0269999-B1 ALIPHATIC ALCOHOLS AND ESTERS, THEIR PREPARATION AND USE AS FLAVOURING AGENTS BASF Aktiengesellschaft (DE) 1991-05-22 EP 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-0269999-A2 Aliphatic alcohols and esters, their preparation and use as flavouring agents BASF Aktiengesellschaft (DE) 1988-06-08 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
EP-0252378-A1 Aliphatic aldehydes, method for their production and their application as perfume agents BASF Aktiengesellschaft (DE) 1988-01-13 EP disclosed