Hexane

Hexane

SCHEMBL31405850

C=CC(=O)OCCCC.C=CC(=O)OCCCCCC.CCCCCC

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.88
HPGD P15428 1/20 0.88
ALDH1A1 P00352 4/20 0.76
CYP3A4 P08684 1/20 0.76
ATM Q13315 1/20 0.61
HCAR2 Q8TDS4 3/20 0.59
NAAA Q02083 1/20 0.53
TP53 P04637 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 1/20 0.52
EPHX1 P07099 1/20 0.50
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL27529157 1.00 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10976683 1.00 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8846868 1.00 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9510077 1.00 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1448348 1.00 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL811560 0.98 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10868277 0.98 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL22607678 0.98 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL21218910 0.98 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL14967 0.98 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4ATM

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
WO-2025028645-A1 ADHESIVE AGENT, ADHESIVE TAPE, POLYOLEFIN RESIN MOLDED BODY, COMPOSITE STRUCTURE, AUTOMOBILE MEMBER, AND METHOD FOR MANUFACTURING POLYOLEFIN RESIN MOLDED BODY 積水化学工業株式会社 2025-02-06 WO disclosed
WO-2025028648-A1 COMPOSITE STRUCTURE, POLYOLEFIN RESIN MOLDED BODY, MOTOR VEHICLE MEMBER, AND METHOD FOR PRODUCING POLYOLEFIN RESIN MOLDED BODY 積水化学工業株式会社 2025-02-06 WO disclosed