SCHEMBL5405236

SCHEMBL5405236

CC1=C(I)C(=O)CC1

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
SCHEMBL8186830 0.86
SCHEMBL161507 0.71
SCHEMBL1340249 0.67
SCHEMBL6738847 0.67 TYR (0.39)
SCHEMBL112009 0.67
SCHEMBL12135406 0.67
SCHEMBL15903263 0.67
SCHEMBL10455224 0.67
SCHEMBL10385817 0.66 GAA (0.36)
SCHEMBL10986390 0.66 ALDH1A1 (0.41)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673321-B9 METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS LG CHEMICAL LTD (KR) 2015-04-22 EP claimed
EP-1673321-B1 METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS LG CHEMICAL LTD (KR) 2014-09-17 EP claimed
US-7166731-B2 Method of preparing fulvene compounds and method of preparing ansa-metallocene compounds using the compounds LG CHEM. LTD. (KR) 2007-01-23 US claimed
US-20050080296-A1 Method of preparing fulvene compounds and method of preparing ansa-metallocene compounds using the compounds LG CHEM. LTD. (KR) 2005-04-14 US claimed
US-20250178997-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-06-05 US disclosed
EP-4490139-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2025-01-15 EP disclosed
CN-118786110-A Organic compound 奇华顿股份有限公司 2024-10-15 CN disclosed
WO-2023170192-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-09-14 WO disclosed
WO-2022150667-A1 NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-14 WO disclosed
EP-3194418-B1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2021-12-15 EP disclosed
EP-3194418-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF Prevacus Inc. (US) 2017-07-26 EP disclosed
US-20160108081-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2016-04-21 US disclosed
US-20160108081-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2016-04-21 US disclosed
US-20160108081-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2016-04-21 US disclosed
WO-2016044558-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. (US) 2016-03-24 WO disclosed
EP-1673321-B9 METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS LG CHEMICAL LTD (KR) 2015-04-22 EP disclosed
EP-1673321-B1 METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS LG CHEMICAL LTD (KR) 2014-09-17 EP disclosed
US-7166731-B2 Method of preparing fulvene compounds and method of preparing ansa-metallocene compounds using the compounds LG CHEM. LTD. (KR) 2007-01-23 US disclosed
US-20050080296-A1 Method of preparing fulvene compounds and method of preparing ansa-metallocene compounds using the compounds LG CHEM. LTD. (KR) 2005-04-14 US disclosed