SCHEMBL1040558

SCHEMBL1040558

C1=CC2=Cc3ccccc3C=CC2C=C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5241108 0.72
SCHEMBL9532256 0.72
SCHEMBL1664032 0.68 HTR6 (0.32)
SCHEMBL27817134 0.67 HTR6 (0.31)
SCHEMBL2102618 0.65
SCHEMBL17923692 0.65 ALDH1A1 (0.32)
SCHEMBL24295804 0.65 GPR3 (0.33)
SCHEMBL4505280 0.65 HTR6 (0.40)
SCHEMBL2643485 0.64 GAA (0.33)
SCHEMBL4794520 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668718-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS Sun Chemical Corporation (US) 2020-06-24 EP claimed
EP-2268629-A1 PHOTOCHROMIC NAPHTHOPYRANES HAVING A DOUBLE-BRIDGED TERPHENYL SUB-UNIT Rodenstock GmbH (DE) 2011-01-05 EP claimed
EP-2178883-A1 PHOTOCHROMIC BENZOPYRANO-BENZOPYRANS WITH FURTHER FUSING Rodenstock GmbH (DE) 2010-04-28 EP claimed
EP-2152074-A1 COMPOSITIONS OF (-)-E-10-OH-NT AND METHODS FOR THEIR SYNTHESIS AND USE Adolor Corporation (US) 2010-02-17 EP claimed
WO-2009132842-A1 PHOTOCHROMIC NAPHTHOPYRANES HAVING A DOUBLE-BRIDGED TERPHENYL SUB-UNIT RODENSTOCK GMBH (DE) 2009-11-05 WO claimed
WO-2009024271-A1 PHOTOCHROMIC BENZOPYRANO-BENZOPYRANS WITH FURTHER FUSING RODENSTOCK GMBH (DE) 2009-02-26 WO claimed
WO-2008134325-A1 COMPOSITIONS OF (-)-E-10-OH-NT AND METHODS FOR THEIR SYNTHESIS AND USE ADOLOR CORPORATION (US) 2008-11-06 WO claimed
EP-0073845-B1 IMIDAZOPYRIDINE-SPIRO-PIPERIDINE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-05-29 EP claimed
EP-0036145-B1 AN ORALLY ADMINISTERED DRUG FORM COMPRISING A POLAR BIOACTIVE AGENT AND AN ADJUVANT INTERx RESEARCH CORPORATION (US) 1985-05-29 EP claimed
EP-0031561-B1 A RECTALLY ADMINISTERED SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1985-04-10 EP claimed
US-4410716-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIULCER AGENTS TOA EIYO KAGAKU KOGYO CO. LTD. (JP) 1983-10-18 US claimed
US-3975437-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY RHONE-POULENC S.A. (FR) 1976-08-17 US claimed
US-3933905-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY RHONE-POULENC S.A. (FR) 1976-01-20 US claimed
JP-56049337-A None JP disclosed
JP-3181443-A None JP disclosed
EP-4247541-B1 METHODS OF MAKING AND USING PLATFORMS FOR PEPTIDE SYNTHESIS AND COMPOSITIONS THEREOF PEPTILOGICS INC (US) 2024-08-28 EP disclosed
US-3933905-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY RHONE-POULENC S.A. (FR) 1976-01-20 US disclosed
US-3860615-A TRICYCLIC COMPOUNDS AND PROCESSES HOFFMANN LA ROCHE 1975-01-14 US disclosed
US-3846431-A HETEROCYCLICALLY DIBENZO(A,D)CYCLOHEPTA(1,4)DIEN-5-ONE DERIVATIVES SPIEGELBERG H 1974-11-05 US disclosed
JP-S05649337-A 0001-01-01 JP disclosed