Trisnorsqualene Difluoromethylidene

Trisnorsqualene Difluoromethylidene

SCHEMBL9152035

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
SQLE Q14534 8/20 0.65
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
KDM4E B2RXH2 1/20 0.55
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50

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
Trisnorsqualene Difluoromethylidene SCHEMBL9152042 1.00 KMT2A (0.77) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL9155151 0.93 KMT2A (0.64) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL9155141 0.93 KMT2A (0.64) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL8819997 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL890053 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL8013144 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL39067 0.88 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448934-B1 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMA (US) 1995-02-22 EP claimed
EP-0448934-A2 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-02 EP claimed
US-5011859-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US claimed
JP-4221327-A None JP disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-0448934-B1 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMA (US) 1995-02-22 EP disclosed
US-5157166-A Condensing difluoromethyldiphenylphosphine oxide and a polyalkylpolyunsaturated docosanal to difluoromethenylate MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
JP-H04221327-A DI-OR TETRA-FLUORO ANALOG OF SQUALENE AS INHIBITOR OF SQUALENE EPOXIDASE MERRELL DOW PHARMACEUT INC 1992-08-11 JP disclosed
US-5064864-A ANTICHOLESTEROL AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-12 US disclosed
EP-0448934-A2 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-02 EP disclosed
US-5011859-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US disclosed