Pentadecane

Pentadecane

SCHEMBL28629536

CCCCCCCCCCCCCCC.N=C(N)S

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.62
SPHK1 Q9NYA1 1/20 0.62
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
DNM1 Q05193 7/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 1/20 0.45

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
Thiourea SCHEMBL11045669 0.87 SPHK2 (0.50) SPHK2SPHK1TSHRTHRBMEN1
Guanidine SCHEMBL27317151 0.87 SPHK2 (0.68) SPHK2SPHK1TSHRTHRBMEN1
Thiourea SCHEMBL9168163 0.84 TSHR (0.57) SPHK2SPHK1TSHRTHRBMEN1
Hexane SCHEMBL7755378 0.83 SPHK2 (0.63) SPHK2SPHK1TSHRTHRBMEN1
Hexane SCHEMBL27342421 0.83 SPHK2 (0.63) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL27591377 0.83 TSHR (0.73) TSHRTHRBMEN1KMT2ADNM1
Dodecane SCHEMBL27722487 0.83 TSHR (0.73) TSHRTHRBMEN1KMT2ADNM1
Butyl Chloride SCHEMBL9177138 0.80
Hexane SCHEMBL28009759 0.80 SPHK2 (0.60) SPHK2SPHK1TSHRTHRBMEN1
Hexane SCHEMBL27989286 0.79

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-113429320-A Preparation method of pentadecyl sulfonyl chloride and oil tanning agent containing pentadecyl sulfonyl chloride 老河口市天和科技有限公司 2021-09-24 CN claimed
CN-113429320-A Preparation method of pentadecyl sulfonyl chloride and oil tanning agent containing pentadecyl sulfonyl chloride 老河口市天和科技有限公司 2021-09-24 CN disclosed