SCHEMBL21986504

SCHEMBL21986504

C/C(=C/CCC=O)CCCC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.31
GGPS1 O95749 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL16296254 1.00 SQLE (0.39) SQLEHPGDALOX15CYP1A1CYP1B1
SCHEMBL16294982 1.00 SQLE (0.39) SQLEHPGDALOX15CYP1A1CYP1B1
SCHEMBL18436365 0.91 CYP1A1 (0.40) SQLEHPGDALOX15CYP1A1CYP1B1
SCHEMBL17822153 0.84 SQLE (0.36) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL17822152 0.84 SQLE (0.36) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL17208654 0.81 ALOX15 (0.45) SQLEALOX15CYP1A1CYP1B1KMT2A
SCHEMBL18686407 0.81 KMT2A (0.63) SQLEALOX15KMT2AALDH1A1GGPS1
SCHEMBL16671129 0.81 SQLE (0.46) SQLEALOX15CYP1A1CYP1B1KMT2A
SCHEMBL16671131 0.81 SQLE (0.46) SQLEALOX15CYP1A1CYP1B1KMT2A
SCHEMBL18116630 0.79 ALOX15 (0.46) SQLEALOX15CYP1A1CYP1B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218459-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-09-03 EP disclosed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP disclosed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP disclosed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN disclosed
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 CN disclosed
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN disclosed
EP-3218341-B1 PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2024-05-01 EP disclosed
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 US disclosed
WO-2023247599-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE FIRMENICH SA (CH) 2023-12-28 WO disclosed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO disclosed
US-RE49502-E1 Phenyl based compounds substituted with aldehyde moieties and their use in perfumery GIVAUDAN SA (CH) 2023-04-25 US disclosed
CN-105283435-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2021-12-21 CN disclosed
CN-112661622-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2021-04-16 CN disclosed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 US disclosed
EP-3658236-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS Firmenich SA (CH) 2020-06-03 EP disclosed
CN-111050856-A Methods of identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2020-04-21 CN disclosed