SCHEMBL1240915

SCHEMBL1240915

CCCCC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
CES1 P23141 9/20 0.50
FAAH O00519 8/20 0.50
CES2 O00748 5/20 0.50
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.44
TSHR P16473 1/20 0.42
AKR1B1 P15121 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
SCHEMBL1723737 0.92 FAAH (0.60) ALDH1A1CES1FAAHCES2MEN1
SCHEMBL9568273 0.90 FAAH (0.61) ALDH1A1CES1FAAHCES2MEN1
SCHEMBL27557547 0.88 FAAH (0.59) ALDH1A1CES1FAAHCES2MEN1
SCHEMBL5325729 0.83
Pyrrole SCHEMBL1518519 0.80 FAAH (0.47) ALDH1A1CES1FAAHCES2MEN1
SCHEMBL8690995 0.78 CES1 (0.55) ALDH1A1TP53CES1FAAHCES2
SCHEMBL27651039 0.77 ALDH1A1 (0.44) ALDH1A1TP53CES1FAAHCES2
SCHEMBL5694482 0.76 CES1 (0.52) ALDH1A1TP53CES1FAAHCES2
SCHEMBL269669 0.76 CES1 (0.52) ALDH1A1TP53CES1FAAHCES2
Valeric Acid SCHEMBL28106607 0.75 AKR1B1 (0.61) ALDH1A1TP53MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007121851-A1 LIGHTENING AND/OR COLOURING AGENTS COMPRISING HALOGENATED KETONES HENKEL AG & CO. KGAA (DE) 2007-11-01 WO claimed
US-9065900-B2 Method and system to shield mobile phones and devices to minimize radiation exposure GREEN SWAN, INC. (US) 2015-06-23 US disclosed
CN-102888431-A Method for preparing L-tertiary leucine CHEN YIJUN 2013-01-23 CN disclosed
EP-2137100-B1 HIGH SHEAR PROCESS FOR THE PRODUCTION OF CHLORAL H R D CORP (US) 2012-08-08 EP disclosed
US-20110157859-A1 METHOD AND SYSTEM TO SHIELD MOBILE PHONES AND DEVICES TO MINIMIZE RADIATION EXPOSURE GREEN SWAN, INC. 2011-06-30 US disclosed
US-7884250-B2 high shear mechanical device incorporated into process for the production of chloral; reactor device is capable of decreasing mass transfer limitations, thereby enhancing the chloral production process H R D CORPORATION (US) 2011-02-08 US disclosed
US-20100092354-A1 HIGH SHEAR PROCESS FOR THE PRODUCTION OF CHLORAL H R D CORPORATION (US) 2010-04-15 US disclosed
US-7652174-B2 High shear process for the production of chloral H R D CORPORATION (US) 2010-01-26 US disclosed
EP-2137100-A1 HIGH SHEAR PROCESS FOR THE PRODUCTION OF CHLORAL H R D Corporation (US) 2009-12-30 EP disclosed
US-20090005604-A1 HIGH SHEAR PROCESS FOR THE PRODUCTION OF CHLORAL H R D CORPORATION (US) 2009-01-01 US disclosed
EP-0789071-A1 METHOD FOR TREATING SURFACE OF SUBSTRATE AND SURFACE TREATMENT COMPOSITION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 1997-08-13 EP disclosed
EP-0368613-B1 Method for preparing monochloroacetaldehyde trimer KUREHA CHEMICAL IND CO LTD (JP) 1995-04-19 EP disclosed
EP-0457149-B1 Process of producing dichloroacetaldehyde trimer KUREHA CHEMICAL IND CO LTD (JP) 1995-01-11 EP disclosed
US-5166368-A Sulfuric acid catalyst KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1992-11-24 US disclosed
EP-0457149-A1 Process of producing dichloroacetaldehyde trimer KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1991-11-21 EP disclosed
US-5008462-A Chlorinating acetaldehyde, para-acetaldehyde, trimerization of reaction product KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1991-04-16 US disclosed
EP-0368613-A2 Method for preparing monochloroacetaldehyde trimer KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1990-05-16 EP disclosed
US-4560750-A Cephem compounds and process for preparing the same MEIJI SEIKA KAISHA LTD. (JP) 1985-12-24 US disclosed
US-4513152-A PHASE SEPARATION WITH SULFURIC ACID STAUFFER CHEMICAL COMPANY (US) 1985-04-23 US disclosed
US-4125649-A Pre-etch conditioning of polysulfone and other polymers for electroless plating CROWN CITY PLATING (US) 1978-11-14 US disclosed