SCHEMBL451185

SCHEMBL451185

O=C(O)CC(=O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
HCAR2 Q8TDS4 1/20 0.54
APP P05067 1/20 0.54
FFAR1 O14842 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKR1B10 O60218 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
Butane SCHEMBL7847348 0.93 TDP1 (0.56) TDP1HCAR2APPFFAR1ESR1
SCHEMBL451184 0.92 TDP1 (0.68) TDP1HCAR2APPFFAR1ESR1
SCHEMBL8465670 0.89 LMNA (0.64) TDP1FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6380084 0.86 TDP1 (0.55) TDP1HCAR2FFAR1NPC1RAB9A
SCHEMBL3345622 0.85 TDP1 (0.59) TDP1HCAR2APPFFAR1ESR1
SCHEMBL8881369 0.85 TDP1 (0.59) TDP1HCAR2APPFFAR1ESR1
SCHEMBL13560198 0.85 TDP1 (0.59) TDP1HCAR2APPFFAR1ESR1
SCHEMBL7290583 0.85 TDP1 (0.75) TDP1HCAR2APPFFAR1ESR1
SCHEMBL22832718 0.84 TDP1 (0.81) TDP1HCAR2APPFFAR1ESR1
SCHEMBL27843168 0.84 TDP1 (0.58) TDP1HCAR2APPSMN1; SMN2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079812-A Preparation method of trans-3-chloro-2-propenyl hydroxylamine hydrochloride 2026-05-26 CN claimed
CN-117776968-A Method for preparing nitrile compound 中国石油化工股份有限公司 2024-03-29 CN claimed
US-11754752-B2 Photochromic polyurethane laminate HOYA OPTICAL LABS OF AMERICA, INC. (US) 2023-09-12 US claimed
US-20220050226-A1 Photochromic Polyurethane Laminate VISION EASE, LP (US) 2022-02-17 US claimed
CN-105566022-A Method for synthesizing oxime ester through transesterification CHINA PETROLEUM & CHEM CORP 2016-05-11 CN claimed
CN-103420856-B Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2015-07-01 CN claimed
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP claimed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 WO claimed
EP-1327644-B1 Hydro-oil-repellent compositions SOLVAY SOLEXIS SPA (IT) 2011-07-27 EP claimed
US-7015278-B2 Hydro-oil-repellent compositions SOLVAY SOLEXIS, S.P.A. (IT) 2006-03-21 US claimed
US-20030166769-A1 Hydro-oil-repellent compositions AUSIMONT S.P.A. 2003-09-04 US claimed
EP-1327644-A1 Hydro-oil-repellent compositions Solvay Solexis S.p.A. (IT) 2003-07-16 EP claimed
EP-0853082-B1 Organic peroxide stabilization with oximes CROMPTON CORP (US) 2001-03-14 EP claimed
US-5892090-A Organic peroxide stabilization with oximes WITCO CORPORATION (US) 1999-04-06 US claimed
EP-0853082-A1 Organic peroxide stabilization with oximes WITCO CORPORATION (US) 1998-07-15 EP claimed
CN-122079812-A Preparation method of trans-3-chloro-2-propenyl hydroxylamine hydrochloride 2026-05-26 CN disclosed
EP-4347683-B1 CURABLE PHOTOCHROMIC COMPOSITION TRANSITIONS OPTICAL LTD (IE) 2026-05-06 EP disclosed
US-4677179-A Storage stable, heat curable, coating composition W. R. GRACE (US) 1987-06-30 US disclosed
US-4393238-A Method for the production of blocked isocyanates AKZO NV (NL) 1983-07-12 US disclosed
US-4046744-A Thermosetting coatings based on ketoxime-blocked isocyanates and oxazolidines ROHM AND HAAS COMPANY (US) 1977-09-06 US disclosed