Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL28079093

CC(C)OOC(C)C.CCCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ OPRM1 P35372 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ DNM1 Q05193 2/20 0.38
▸ TRPM8 Q7Z2W7 5/20 0.38
▸ SLC22A1 O15245 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 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
SCHEMBL6858649 0.80 DNM1 (0.37) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL7374893 0.79 TSHR (0.47) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL5781731 0.79 TSHR (0.47) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL295692 0.79 TSHR (0.47) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL27748725 0.76 TSHR (0.64) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL1048428 0.76 TSHR (0.64) TSHRTHRBOPRM1LMNADNM1
Heptane SCHEMBL788860 0.76 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Octane SCHEMBL9190082 0.76 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Heptane SCHEMBL7498469 0.76 TSHR (0.53) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL27856641 0.76 TSHR (0.44) TSHRTHRBOPRM1LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105778815-A Connecting structure for circuit members, and connecting method for circuit members 日立化成工业株式会社 2016-07-20 — — CN disclosed