SCHEMBL31154601

SCHEMBL31154601

CC1CC2CC3CCCCC3C2CC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27327414 0.82 ALDH1A1 (0.41) EPAS1ALDH1A1
SCHEMBL4640019 0.79
SCHEMBL2253089 0.79 ALDH1A1 (0.50) EPAS1ALDH1A1
SCHEMBL212308 0.79 ALDH1A1 (0.50) EPAS1ALDH1A1
SCHEMBL9823006 0.76
SCHEMBL31159672 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31159674 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2994969 0.76
SCHEMBL6688863 0.76 ALDH1A1 (0.47) EPAS1ALDH1A1
SCHEMBL28577893 0.76 ALDH1A1 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118813293-A High-density hydrocarbon fuel and preparation method thereof 陕西煤基特种燃料研究院有限公司 2024-10-22 CN disclosed
CN-118813292-A High-density fuel and production method thereof 陕西煤基特种燃料研究院有限公司 2024-10-22 CN disclosed