SCHEMBL28134690

SCHEMBL28134690

CCS(=O)(=O)O.FC(F)F

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
TP53 P04637 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
APP P05067 1/20 0.30
CA2 P00918 2/20 0.30

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
SCHEMBL27984273 0.90 TSHR (0.35) TSHRTDP1PTGS1PDE4ATP53
Fluoromethane SCHEMBL28181922 0.85
SCHEMBL1904 0.84
SCHEMBL2058760 0.84 CA5A (0.46) TSHRTDP1PTGS1PDE4ATP53
SCHEMBL126970 0.84
SCHEMBL27493794 0.81 TSHR (0.40) TSHRTDP1PTGS1PDE4ACA5A
Methyl Alcohol SCHEMBL23421569 0.81
SCHEMBL20533683 0.81
SCHEMBL22581624 0.81
SCHEMBL20583855 0.81

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081770-A A kind of preparation method of ortho alkyl phenol 安阳师范学院 2018-12-25 CN claimed
CN-105481698-B A kind of propane diamine of N, N dimethyl 1,3 reclaims the method with the propane diamine of coproduction N, N, N ', N ' tetramethyl 1,3 江苏富淼科技股份有限公司 2017-06-13 CN claimed
CN-110128308-A Alpha-alkoxy methylene-beta-dicarbonyl compound preparation method 利尔化学股份有限公司 2019-08-16 CN disclosed
CN-109081770-A A kind of preparation method of ortho alkyl phenol 安阳师范学院 2018-12-25 CN disclosed
CN-108794365-A A method of using one pot process selenomethionine 苏州至善化学有限公司 2018-11-13 CN disclosed
CN-107995916-A CURABLE BENZOXAZINE COMPOSITIONS 亨斯迈先进材料美国有限责任公司 2018-05-04 CN disclosed
CN-105503884-B A kind of synthetic method for being used to synthesize the key intermediate of BET protein inhibitors 上海皓元生物医药科技有限公司 2017-10-13 CN disclosed
CN-104936962-B Therapeutically active oxazoline derivatives UCB生物制药私人有限公司 2017-02-22 CN disclosed
CN-106046370-A Oxazoline POZ compound, method for synthesizing the same, and target molecule-POZ conjugate 塞瑞纳治疗公司 2016-10-26 CN disclosed
CN-104936962-A Therapeutically active oxazoline derivatives UCB PHARMA SA 2015-09-23 CN disclosed
CN-101421297-A Peptides that block the binding of igg to fcrn SYNTONIX PHARMACEUTICALS INC (US) 2009-04-29 CN disclosed