SCHEMBL3196398

SCHEMBL3196398

Cc1cccc(C(O)CCO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ACHE P22303 2/20 0.41
HIF1A Q16665 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL13850017 0.85 TAS1R3 (0.45) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL13849155 0.85 TAS1R3 (0.45) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL6055393 0.85 TAS1R3 (0.45) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL14402512 0.85 TAS1R3 (0.45) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL16072433 0.84 TSHR (0.44) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL6980256 0.84 TSHR (0.44) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL22785850 0.84 TSHR (0.44) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL31376562 0.84 TSHR (0.44) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL16079976 0.83 TAAR1 (0.44) ACP3TAAR1ACHEHIF1AADRB2
SCHEMBL6055087 0.83 ALDH1A1 (0.43) ACP3TAAR1HIF1ATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686331-B2 PRINCIPAL SOLVENTS, ESPECIALLY MONO AND DIOL PRINCIPAL SOLVENTS, HAVING A SPECIFIED CLOGP VALUE, SPECIFIED TYPES OF SOFTENERS SUCH AS VARISOFT?, WATER AND OPTIONAL ADDITIVES; PREMIX THE PROCTER & GAMBLE COMPANY 2004-02-03 US claimed
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
US-20020160926-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN (US) 2002-10-31 US claimed
US-6369025-B1 USEFUL FOR SOFTENING CLOTH THE PROCTER & GAMBLE COMPANY 2002-04-09 US claimed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US claimed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-20250237017-A1 NON-SHEAR SENSITIVE SURFACE SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2025-07-24 US disclosed
CN-111434671-B Liver-specific AMPK agonist and preparation method and application thereof 凯思凯迪(上海)医药科技有限公司 2023-07-11 CN disclosed
CN-111434671-A Liver specificity AMPK agonist and preparation method and application thereof 凯思凯迪(上海)医药科技有限公司 2020-07-21 CN disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed