SCHEMBL2861204

SCHEMBL2861204

CCC(=O)/C=C/C=C(\C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.61
LMNA P02545 1/20 0.61
PGR P06401 1/20 0.61
ALDH1A1 P00352 3/20 0.53
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.45
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.41
UGT1A1 P22309 1/20 0.41
TRPA1 O75762 1/20 0.41
SQLE Q14534 1/20 0.40

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
SCHEMBL2861207 1.00 NR1I2 (0.61) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL28846647 0.91 NR1I2 (0.51) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL30233722 0.91 NR1I2 (0.51) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL1275719 0.88 NR1I2 (0.59) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL1275716 0.88 NR1I2 (0.59) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL23722461 0.83 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL372460 0.83 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL15820994 0.83 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL15821563 0.83 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL23722462 0.83 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
EP-1305388-B1 CLEANING COMPOSITION PROCTER & GAMBLE (US) 2010-09-15 EP disclosed
EP-1305383-B1 CLEANING COMPOSITION PROCTER & GAMBLE (US) 2010-01-20 EP disclosed
EP-1305391-B1 CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2007-01-03 EP disclosed
EP-1493803-B1 Cleaning compositions PROCTER & GAMBLE (US) 2006-06-07 EP disclosed
US-20050233925-A1 Cleaning composition FOLEY PETER R 2005-10-20 US disclosed
EP-1493803-A1 Cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-01-05 EP disclosed
EP-0980238-A1 STYLING SHAMPOO COMPOSITIONS CONTAINING AN ODOR MASKING BASE THE PROCTER & GAMBLE COMPANY (US) 2000-02-23 EP disclosed
US-5919440-A HIGHLY VOLATILE PERFUME, IONE PERFUME, MUST, POLYMER PROCTER & GAMBLE COMPANY (US) 1999-07-06 US disclosed
US-5874073-A IONONE PERFUME, MUSK, VOLATILE PERFUME PROCTER & GAMBLE (US) 1999-02-23 US disclosed
WO-1998050011-A1 STYLING SHAMPOO COMPOSITIONS CONTAINING AN ODOR MASKING BASE THE PROCTER & GAMBLE COMPANY (US) 1998-11-12 WO disclosed
WO-1998050010-A1 PERSONAL CARE COMPOSITIONS CONTAINING AN ODOR MASKING BASE THE PROCTER & GAMBLE COMPANY (US) 1998-11-12 WO disclosed
EP-0172519-B1 PROCESS FOR THE PREPARATION OF IONONES BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0172519-A1 Process for the preparation of ionones BASF Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4431844-A MIXING AN UNSATURATED ALDEHYDE WITH EXCESS ACETONE OR METHYL ETHL KETONE IN AN ALKALI METAL HYDROXIDE AQUEOUS SOLUTION BASF AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
EP-0062291-A1 Process for the preparation of poly-unsaturated ketones BASF Aktiengesellschaft (DE) 1982-10-13 EP disclosed