SCHEMBL221678

SCHEMBL221678

O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
TP53 P04637 1/20 1.00
CYP2D6 P10635 2/20 0.65
RECQL P46063 1/20 0.61
LMNA P02545 2/20 0.56
F2 P00734 1/20 0.56
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46

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
SCHEMBL14117921 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL7685 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
Ammonia Solution, Strong SCHEMBL11444695 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28150719 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL312080 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL365251 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28149702 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA

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

Appears in 3154 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122074028-A Heated aerosol-generating article for reducing malodour 菲利普莫里斯生产公司 2026-05-22 CN claimed
US-20260132101-A1 METHOD FOR RESOLVING PHENYLALANINE DERIVATIVE, AND INTERMEDIATE NEUBORON BIO SCITECH CO LTD (CN) 2026-05-14 US claimed
EP-4720073-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS Kura Oncology, Inc. (US) 2026-04-08 EP claimed
EP-4688761-A1 (S)-TIANEPTINE AND USE IN TREATING DISORDERS AND CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Tonix Pharma Limited (IE) 2026-02-11 EP claimed
US-20250270184-A1 PROCESSES FOR THE PREPARATION OF FINERENONE ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2025-08-28 US claimed
WO-2025133917-A1 PROCESS FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5- ETHOXY-1, 4-DIHYDRO-2,8-DIMETHYL-1,6-NAPTHYRIDINE-3-CARBOXAMIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2025-06-26 WO claimed
US-12297567-B2 Composite nano-substance of cocoa-charcoal cladded conjugate structure and manufacturing method for yarn thereof CHANG SI RONG (TW) 2025-05-13 US claimed
CN-119930684-A C (C)2Symmetrical N-axis chiral bisindole diphosphine ligand and preparation method and application thereof 青岛大学 2025-05-06 CN claimed
US-20250129071-A1 ALDOSTERONE SYNTHASE INHIBITOR DAMIAN PHARMA AG (CH) 2025-04-24 US claimed
US-20250115601-A1 PROCESS FOR THE PREPARATION OF FINERENONE AND INTERMEDIATES THEREOF ALIVUS LIFE SCIENCES LIMITED (IN) 2025-04-10 US claimed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP claimed
WO-1991004253-A1 PREPARATION OF S-(-)- AND R-(+)-N-(QUINUCLIDINYL-3)-AMIDE CHIRON LABORATORIES A.S (NO) 1991-04-04 WO claimed
EP-0420120-A2 Optically active benzyl alcohol compound and pharmaceutical composition HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP claimed
EP-0418770-A2 Process for the chemical resolution of 5-alkoxy-substituted (+/-)-1,3-dimethyloxindolylethylamines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-27 EP claimed
EP-0107825-B1 1,3,4,6,7,11B-HEXAHYDRO-7-ARYL-2H-PYRAZINO (2,1-ALPHA) ISOQUINOLINES USEFUL AS INTERMEDIATES AND PHARMACEUTICAL COMPOUNDS AND METHODS OF PREPARATION PENNWALT CORPORATION (US) 1988-03-02 EP claimed
US-4610828-A Process for preparing L-carnitine and salts thereof NISSHIN FLOUR MILLING CO., LTD. (JP) 1986-09-09 US claimed
US-4458084-A Cyclopentene derivatives THE UPJOHN COMPANY (US) 1984-07-03 US claimed
EP-0107825-A1 1,3,4,6,7,11b-Hexahydro-7-aryl-2H-pyrazino (2,1-alpha) isoquinolines useful as intermediates and pharmaceutical compounds and methods of preparation PENNWALT CORPORATION (US) 1984-05-09 EP claimed
EP-0021923-B1 PROCESS FOR THE PREPARATION OF VINCAMINE DERIVATIVES SYNTHELABO (FR) 1983-09-07 EP claimed
US-4316029-A Synthesis of vincaminic acid derivatives SYNTHELABO (FR) 1982-02-16 US claimed