SCHEMBL5018715

SCHEMBL5018715

COC(=O)[C@@H](C)CI

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
SCHEMBL7040783 1.00
SCHEMBL8986769 1.00
SCHEMBL8407685 0.85 TSHR (0.44)
SCHEMBL31110860 0.83
SCHEMBL31110853 0.83
SCHEMBL2909414 0.81
SCHEMBL1140708 0.80
SCHEMBL24072865 0.78 SMN1; SMN2 (0.46)
SCHEMBL1557617 0.78 SMN1; SMN2 (0.46)
SCHEMBL6696365 0.78 SMN1; SMN2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552410-A 1,2,3,4,-tetrahydroquinoline-8-sulphonic acid chlorides and acids, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-09-03 US claimed
EP-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-08-07 US disclosed
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2025-06-19 US disclosed
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 VIVIDION THERAPEUTICS, INC. 2025-02-20 US disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
WO-2024182693-A1 2-AZASPIRO[3.3]HEPTANE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
CN-109071427-B Novel prostaglandin derivative AGC株式会社 2024-08-20 CN disclosed
WO-2024054851-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
WO-2024054845-A1 MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20160251336-A1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA, INC. (US) 2016-09-01 US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 US disclosed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US disclosed
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-5552410-A 1,2,3,4,-tetrahydroquinoline-8-sulphonic acid chlorides and acids, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-09-03 US disclosed