SCHEMBL230829

SCHEMBL230829

CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Ti+4]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 4/20 0.35
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA4 P22748 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5151546 0.97 TSHR (0.37) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL1230753 0.97 TSHR (0.37) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL1228648 0.95 CYP3A4 (0.36) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL5149610 0.95 CYP3A4 (0.36) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219167 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219179 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21519878 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219169 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21219173 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL10415391 0.95 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2

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 2124 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250262347-A1 BONE REPAIR COMPOSITIONS COMPRISING POLYTHIOURETHANE AND USES THEREOF SMITH & NEPHEW INC (US) 2025-08-21 US claimed
US-12345171-B2 Protective coatings for aircraft engine components GE AVIO S.R.L. (IT) 2025-07-01 US claimed
US-12319815-B2 Resin composition, method for producing same, and multi-liquid curable resin composition KANEKA CORPORATION (JP) 2025-06-03 US claimed
CN-119731595-A Resin composition, cured product, laminate, method for producing cured product, method for producing laminate, method for producing semiconductor device, and semiconductor device 富士胶片株式会社 2025-03-28 CN claimed
US-20250093793-A1 TONER CANON KABUSHIKI KAISHA (JP) 2025-03-20 US claimed
EP-4511077-A1 BONE REPAIR COMPOSITIONS COMPRISING POLYTHIOURETHANE AND USES THEREOF Smith&Nephew, Inc. (US) 2025-02-26 EP claimed
US-20250034316-A1 CURABLE COMPOSITION, CURED PRODUCT AND CURING CATALYST FOR BLOCKED ISOCYANATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-01-30 US claimed
CN-118234772-A Curable composition, cured product, and catalyst for curing blocked isocyanate compound 广荣化学株式会社 2024-06-21 CN claimed
CN-118027874-A Plasticine-like shaping adhesive 圣戈班汇杰(杭州)新材料有限公司 2024-05-14 CN claimed
CN-117976834-A Potassium ion battery anode material and preparation method and application thereof 溧阳天目先导电池材料科技有限公司 2024-05-03 CN claimed
US-5504174-A ADHESIVE COMPRISING ALKOXY-CONTAINING POLYSILOXANE, ALKENYL-CONTAINING POLYSILOXANE, AN ORGANOHYDROGENSILOXANE, AN ALKOXYSILANE, A TITANIUM CATALYST AND A HYDROSILATION CATALYST; BONDING STRENGTH DOW CORNING TORAY SILICONE CO., LTD. (JP) 1996-04-02 US claimed
US-5478802-A Injecting a solution of brine, a water-soluble polymer, a complexing ligand and a crosslinker PHILLIPS PETROLEUM COMPANY (US) 1995-12-26 US claimed
EP-0668432-A2 Process for treating oil-bearing formation PHILLIPS PETROLEUM COMPANY (US) 1995-08-23 EP claimed
US-5423380-A Adding crosslinking agent intermittently to stream of aqueous solution of gellable polymer injected into subterranean formation PHILLIPS PETROLEUM COMPANY (US) 1995-06-13 US claimed
EP-0624553-A1 Process for producing photochromic titanium oxide compounds SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-17 EP claimed
EP-0604988-A2 Gelling compositions useful for oil field applications PHILLIPS PETROLEUM COMPANY (US) 1994-07-06 EP claimed
US-5194666-A Intermediates for chemiluminescent agents, chlorination, esterification AMERICAN CYANAMID COMPANY (US) 1993-03-16 US claimed
US-4560716-A Rust preventing epoxy resin compositions KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1985-12-24 US claimed
US-4552907-A LANOLIN, CORROSION RESISTANCE KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1985-11-12 US claimed
US-4447659-A TITANIUM CATALYSTS NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1984-05-08 US claimed