SCHEMBL2769206

SCHEMBL2769206

N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.37
NOTUM Q6P988 1/20 0.37
ADORA1 P30542 6/20 0.35
ADORA2A P29274 5/20 0.35
ERBB2 P04626 1/20 0.35
TRPA1 O75762 1/20 0.33
CHEK1 O14757 1/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
GRK5 P34947 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PRKX P51817 1/20 0.32
NEK2 P51955 1/20 0.32

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
SCHEMBL2769209 0.97 TSHR (0.39) TSHRALDH1A1NOTUMADORA1ADORA2A
SCHEMBL2153604 0.77 TSHR (0.41) TSHRALDH1A1NOTUMADORA1ADORA2A
Lithium Ion SCHEMBL15363722 0.74 TSHR (0.39) TSHRALDH1A1NOTUMADORA1ADORA2A
SCHEMBL14118169 0.72 TSHR (0.38) TSHRALDH1A1NOTUMTRPA1CYP1A2
SCHEMBL14118873 0.72 TSHR (0.38) TSHRALDH1A1NOTUMTRPA1CYP1A2
SCHEMBL8757073 0.71 ALDH1A1 (0.37) ALDH1A1APP
SCHEMBL14118252 0.70 TSHR (0.36) TSHRALDH1A1TRPA1
SCHEMBL14119151 0.70 TSHR (0.36) TSHRALDH1A1TRPA1
SCHEMBL14118573 0.70 TSHR (0.36) TSHRALDH1A1TRPA1
SCHEMBL14118274 0.70 TSHR (0.36) TSHRALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767481-B2 AT LEAST ONE REDUCIBLE AND AT LEAST ONE OXIDIZABLE SUBSTANCE OX2 AND RED1, RESPECTIVELY, WHICH ARE LINKED TO ONE ANOTHER VIA A BRIDGE BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US claimed
US-20030236228-A1 Neuropharmacological treatment of sleep-related breathing disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-12-25 US claimed
EP-0995146-B1 ELECTROCHROMIC DEVICE ISOCLIMA SPA (IT) 2003-01-15 EP claimed
US-20020197486-A1 Electrochromic system with coupled RED-OX system and special anions BERNETH HORST (DE) 2002-12-26 US claimed
US-6417951-B1 ELECTROLYTIC CELLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US claimed
WO-2000051590-A2 NEUROPHARMACOLOGICAL TREATMENT OF SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-09-08 WO claimed
EP-0995146-A2 ELECTROCHROMIC DEVICE ISOCLIMA S.p.A. (IT) 2000-04-26 EP claimed
WO-1999004316-A2 ELECTROCHROMIC DEVICE ISOCLIMA S.P.A. (IT) 1999-01-28 WO claimed
US-12406696-B2 Photopolymer compositions for thermostable photopolymers in the visible spectral range COVESTRO DEUTSCHLAND AG (DE) 2025-09-02 US disclosed
US-20250182787-A1 Photopolymer Compositions for Thermostable Photopolymers in the Visible Spectral Range COVESTRO DEUTSCHLAND AG (DE) 2025-06-05 US disclosed
US-20250171648-A1 Thermostable Photopolymers in the Visible Spectral Range and Photopolymer Compositions Containing Same COVESTRO DEUTSCHLAND AG (DE) 2025-05-29 US disclosed
EP-3923064-B1 ELECTROCHROMIC SOLUTION ESSILOR INT (FR) 2025-05-21 EP disclosed
US-20250155845-A1 Triarylalkyl Borate Salts as Coinitiators in NIR Photopolymer Compositions COVESTRO DEUTSCHLAND AG (DE) 2025-05-15 US disclosed
CN-119855875-A Specific benzopyrylium salts as dyes for photopolymer compositions 科思创德国股份有限公司 2025-04-18 CN disclosed
EP-0995146-A2 ELECTROCHROMIC DEVICE ISOCLIMA S.p.A. (IT) 2000-04-26 EP disclosed
US-5985842-A Boron compounds/complexes to control hair growth, and methods of use MILJKOVIC, DUSAN 1999-11-16 US disclosed
US-5952475-A CATIONIC THIADIAZOLEDIPHENYLAMINE DYES FOR USE IN INKJET PRINTING AND IN LIGHT-WRITABLE DATA STORAGE MEDIA AND IN DYE TRANSFER FILMS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-14 US disclosed
WO-1999025384-A2 MULTIMERIC TETHERED LIGANDS AND THEIR USE IN RECEPTOR-LIGAND INTERACTIONS UNIVERSITY OF MIAMI (US) 1999-05-27 WO disclosed
WO-1999004316-A2 ELECTROCHROMIC DEVICE ISOCLIMA S.P.A. (IT) 1999-01-28 WO disclosed
US-4394321-A CHEMICAL INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-19 US disclosed