SCHEMBL30754352

SCHEMBL30754352

C=C[C@H](C)CC(=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.38
CA2 P00918 1/20 0.37
TSHR P16473 2/20 0.35

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
SCHEMBL6903513 1.00 CYP2C19 (0.43) CYP2C19ALDH1A1TDP1ACHECA2
Propene SCHEMBL28073750 0.82 CYP2C19 (0.48) CYP2C19ALDH1A1TDP1ACHECA2
Fluoride SCHEMBL5203462 0.82 CYP2C19 (0.56) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL11839869 0.81
Formaldehyde SCHEMBL11857202 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1TDP1ACHECA2
Ethylene SCHEMBL27496633 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL36990 0.79 CYP2C19 (0.59) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL10834211 0.79 CYP2C19 (0.59) CYP2C19ALDH1A1TDP1ACHECA2
Oxirane SCHEMBL28301802 0.77 CYP2C19 (0.48) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL27818060 0.76 CYP2C19 (0.43) CYP2C19ALDH1A1TDP1ACHECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
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 claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP 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
EP-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO disclosed