SCHEMBL4854791

SCHEMBL4854791

O=C(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.74
SRD5A2 P31213 1/20 0.61
POLB P06746 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
P2RX1 P51575 1/20 0.57
HPGD P15428 1/20 0.56
MAPT P10636 1/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNK3 O14649 1/20 0.54
PTGS1 P23219 2/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL1237189 0.85 SRD5A2 (0.79) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL3176325 0.85 CES2 (1.00) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL29433907 0.83 SRD5A2 (0.77) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL40186 0.83 SRD5A2 (0.77) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL350153 0.83 CES2 (0.74) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL3816062 0.83 CES2 (0.74) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL543288 0.83 CES2 (0.67) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL195557 0.82 CES2 (0.71) CES2SRD5A2POLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL10387616 0.82 SRD5A2 (0.74) CES2SRD5A2POLBALDH1A1LMNA
SCHEMBL10424320 0.82 CES2 (0.71) CES2SRD5A2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115717009-B Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-11-14 CN claimed
CN-115717009-A Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-02-28 CN claimed
CN-107417518-A To trifluoromethylbenzoic acid synthetic method between a kind of neighbour 淄博飞源化工有限公司 2017-12-01 CN claimed
US-4581179-A Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-08 US claimed
US-4555370-A CYANTATION OF ACYL. FLUORIDE BAYER AKTIENGESELLSCHAFT (DE) 1985-11-26 US claimed
US-4420433-A REACTION WITH SILICON TETRACHLORIDE OR TITANIUM TETRACHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US claimed
EP-0038987-B1 PROCESS FOR PREPARING ACYL CYANIDES BAYER AG (DE) 1983-06-08 EP claimed
EP-0038987-A1 Process for preparing acyl cyanides BAYER AG (DE) 1981-11-04 EP claimed
EP-0038223-A1 Process for the preparation of trifluoromethylbenzoyl halides OCCIDENTAL CHEMICAL CORPORATION (US) 1981-10-21 EP claimed
CN-115717009-B Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-11-14 CN disclosed
CN-115717009-A Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-02-28 CN disclosed
CN-107400052-B Synthesis method of methyl o-, m-and p-trifluoromethylbenzoate 淄博飞源化工有限公司 2020-05-01 CN disclosed
CN-107417518-A To trifluoromethylbenzoic acid synthetic method between a kind of neighbour 淄博飞源化工有限公司 2017-12-01 CN disclosed
CN-102351704-A Method for synthesizing methyl 3-(trifluoromethyl)benzoate ZHEJIANG WEIHUA CHEMICAL CO LTD 2012-02-15 CN disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed
US-4035373-A Preparation of piperidinyl-alkyl-benzamides THE UNIVERSITY OF TOLEDO (US) 1977-07-12 US disclosed
US-4001319-A FROM TRIFLUOROACETYL FLUORIDE AND SULFUR TRIOXIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US disclosed
US-3966832-A Continuous process for preparing derivatives of benzene with fluorinated side chains from the corresponding chlorine compounds HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed