SCHEMBL29150962

SCHEMBL29150962

CCCCCCCC/C=C\CCCCCCCC[N+]1(C)CCOCC1.COS(=O)(=O)[O-]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.47
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARA Q07869 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
EPHX2 P34913 2/20 0.34
FABP3 P05413 2/20 0.34

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
SCHEMBL11345454 0.92 CDC25A (0.53) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL975081 0.92 CDC25A (0.53) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL17102598 0.86 CDC25A (0.49) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL29150964 0.81 FABP3 (0.43) FAAHPPARAALOX15FABP3
SCHEMBL9719402 0.78 LMNA (0.49) CDC25AGNAI3GNAO1GNAI1HPGD
Sulfuric Acid SCHEMBL17102678 0.77 CDC25A (0.50) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4752338 0.77 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL13042277 0.77 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL17419072 0.77 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4065812 0.77 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117479965-A Quick-acting aerosol for air disinfection and sterilization 雷克特本克斯尔有限责任公司 2024-01-30 CN claimed
CN-119677548-A Quick-acting aerosol for air disinfection and sterilization 雷克特本克斯尔有限责任公司 2025-03-21 CN disclosed
CN-117479965-A Quick-acting aerosol for air disinfection and sterilization 雷克特本克斯尔有限责任公司 2024-01-30 CN disclosed