SCHEMBL2275880

SCHEMBL2275880

O=C(C(F)(F)F)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 1/20 0.40
CES2 O00748 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
Water SCHEMBL8828343 0.97 ALDH1A1 (0.39) ALDH1A1TP53TSHRCA2CES2
Trichloromonofluoromethane SCHEMBL11804529 0.81 ALDH1A1 (0.44) ALDH1A1TP53TSHRCA2
SCHEMBL3732763 0.81 CA2 (0.39) ALDH1A1TP53TSHRCA2CES2
SCHEMBL4209214 0.79 ALDH1A1 (0.33) ALDH1A1TP53TSHRCA2CES2
SCHEMBL5861894 0.79 ALDH1A1 (0.41) ALDH1A1TP53TSHRCA2
SCHEMBL7633721 0.79 ALDH1A1 (0.41) ALDH1A1TP53TSHRCA2
SCHEMBL4184754 0.79 ALDH1A1 (0.33) ALDH1A1TP53TSHRCA2CES2
Trifluoroacetic Acid SCHEMBL4318055 0.78 ALDH1A1 (0.50) ALDH1A1TP53TSHRCA2
SCHEMBL344 0.76 CA2 (0.41) ALDH1A1CA2CES2
SCHEMBL27892503 0.76 CA2 (0.41) ALDH1A1CA2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043794-A Preparation method of allyl fluorine-containing glycidyl ether 杭州宝明新材料科技有限公司 2022-09-13 CN claimed
EP-1127865-B1 Process for producing 1,1,1-Trifluoroacetone CENTRAL GLASS CO LTD (JP) 2005-11-02 EP claimed
US-6340776-B2 HYROGENOLYSIS OF HALOGENATED TRIFLUOROACETONE BY HYDROGEN GAS IN PRESENCE OF TRANSITION METAL CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-22 US claimed
US-20010037041-A1 Process for producing 1,1,1,-trifluoroacetone CENTRAL GLASS COMPANY, LIMITED (JP) 2001-11-01 US claimed
EP-1127865-A1 Process for producing 1,1,1-Trifluoroacetone Central Glass Company, Limited (JP) 2001-08-29 EP claimed
EP-0872468-B1 Method for producing 3,3-dichloro-1,1,1-trifluoroacetone CENTRAL GLASS CO LTD (JP) 2001-07-25 EP claimed
US-5905174-A FLUORINATING PENTACHLOROACETONE WITH HYDROGEN FLUORIDE IN THE PRESENCE OF A CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1999-05-18 US claimed
EP-0872468-A1 Method for producing 3,3-dichloro-1,1,1-trifluoroacetone Central Glass Company, Limited (JP) 1998-10-21 EP claimed
US-4393183-A STORAGE STABILITY, BONDING STRENGTH TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1983-07-12 US claimed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
JP-10330308-A None JP disclosed
CN-115043794-A Preparation method of allyl fluorine-containing glycidyl ether 杭州宝明新材料科技有限公司 2022-09-13 CN disclosed
CN-114685822-A Non-fibrous membrane and cell layer sheet 财团法人工业技术研究院 2022-07-01 CN disclosed
CN-109942393-B Preparation method of 1,1, 1-trifluoroacetone 赵博佑 2021-11-19 CN disclosed
CN-112745194-A Process for continuously producing hexafluoroisopropanol by using hexafluoropropylene oxide as raw material 山东华夏神舟新材料有限公司 2021-05-04 CN disclosed
US-4016146-A Phenethylamine antigenic conjugates, their preparation, antibodies, and use BIOLOGICAL DEVELOPMENTS, INC. (US) 1977-04-05 US disclosed
US-3996344-A Phenethylamine antigenic conjugates, their preparation, antibodies and use BIOLOGICAL DEVELOPMENTS, INC. (US) 1976-12-07 US disclosed
US-3996376-A Halogenated dioxolane tranquilizers ICI UNITED STATES INC. (US) 1976-12-07 US disclosed
US-3993632-A PROPELLANT BINDER SHELL OIL COMPANY (US) 1976-11-23 US disclosed
US-3962171-A COMPOSITION FOR PROTECTING SURFACES MCGARRY & WATERS (US) 1976-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010037041-A1 Process for producing 1,1,1,-trifluoroacetone TALDO1, HVCN1, TPO ALDH1A1 1200/4885TP53 3716/4885TSHR 207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.