SCHEMBL98813

SCHEMBL98813

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
CA1 P00915 2/20 0.40
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL7747690 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7752126 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL97487 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7751708 0.92 FFAR1 (0.42) BLMFFAR1FFAR4
SCHEMBL7752153 0.90 KDM4C (0.34) HSPD1BLMHSPE1CA1FFAR1
SCHEMBL3374615 0.89 CA2 (0.45) CA2CA1GPR84ACE2
SCHEMBL3338797 0.88 TSHR (0.33) CA1
SCHEMBL1007055 0.86 FFAR4 (0.42) CA2CA1GPR84FFAR1FFAR4
SCHEMBL7885777 0.84 FFAR4 (0.47) GPR84FFAR1FFAR4
SCHEMBL10423885 0.84 HSPD1 (0.31) CA2HSPD1BLMHSPE1

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

Appears in 3912 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031062-B2 Polishing slurry composition for sti process KCTECH CO., LTD. (KR) 2024-07-09 US claimed
EP-4392005-A1 PERSONAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2024-07-03 EP claimed
US-20240158667-A1 POLISHING SLURRY COMPOSITION KCTECH CO., LTD. (KR) 2024-05-16 US claimed
US-20230338324-A1 METHOD FOR TREATING RHEUMATOID ARTHRITIS THE WILLIAM M YARBROUGH FOUNDATION 2023-10-26 US claimed
CN-116848205-A Polishing slurry composition 凯斯科技股份有限公司 2023-10-03 CN claimed
US-20230263763-A1 METHOD FOR TREATING INFECTIOUS DISEASES WITH ISOTHIOCYANATE FUNCTIONAL COMPOUNDS THE WILLIAM M YARBROUGH FOUNDATION 2023-08-24 US claimed
US-20230255920-A1 METHOD FOR TREATING METASTATIC PROSTATE CANCER THE WILLIAM M YARBROUGH FOUNDATION 2023-08-17 US claimed
US-11712592-B2 Wetting agent composition for extinguishing fires Hwang, In Cheon (KR) 2023-08-01 US claimed
US-20230181445-A1 Personal Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-06-15 US claimed
WO-2023107659-A1 PERSONAL CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2023-06-15 WO claimed
US-5646106-A MIXTURE OF EMULSIFIER, AMPHOTERIC SURFACTANT, NONIONIC ALCOHOL ETHOXYLATE, AND ALKYL OR ALKYL ETHER SULFATE; SHAMPOO, SOAP RHONE-POULENC SPECIALTY CHEMICALS ASIA PACIFIC PTE LTD 1997-07-08 US claimed
WO-1996021711-A2 COLD PEARLIZING CONCENTRATES RHONE-POULENC INC. (US) 1996-07-18 WO claimed
WO-1996021424-A2 MILD COLD PEARLIZING CONCENTRATES RHONE-POULENC INC. (US) 1996-07-18 WO claimed
EP-0650351-A4 HAIR COSMETIC. PROCTER & GAMBLE (US) 1996-03-27 EP claimed
EP-0650351-A1 HAIR COSMETIC THE PROCTER & GAMBLE COMPANY (US) 1995-05-03 EP claimed
EP-0519942-B1 COSMETIC CLEANSING AGENT BEIERSDORF AG (DE) 1994-10-05 EP claimed
WO-1994002115-A1 HAIR COSMETIC THE PROCTER & GAMBLE COMPANY (US) 1994-02-03 WO claimed
US-5246613-A Aqueous isotropic personal liquid cleansing composition with triethanol amine soap, selected electrolyte and synthetic surfacant THE PROCTER & GAMBLE COMPANY (US) 1993-09-21 US claimed
WO-1991013610-A1 COSMETIC CLEANSING AGENT BEIERSDORF AG (DE) 1991-09-19 WO claimed
US-4201678-A USING AN AQUEOUS SOLUTION OF A FOAMING AGENT COMPRISING AN AMPHOTERIC ALKYL BETAINE AND A SODIUM OLEFIN SULFONATE UNION OIL COMPANY OF CALIFORNIA (US) 1980-05-06 US claimed