Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL10364795

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.43
▸ FDPS P14324 10/20 0.40
▸ GGPS1 O95749 7/20 0.40

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
Hexane SCHEMBL3032232 1.00 CES2 (0.43) CES2FDPSGGPS1
Hexane SCHEMBL8467539 1.00 CES2 (0.43) CES2FDPSGGPS1
Hexane SCHEMBL6279172 1.00 CES2 (0.43) CES2FDPSGGPS1
Heptane SCHEMBL7356779 0.98 CES2 (0.47) CES2FDPSGGPS1
Pentane SCHEMBL16758664 0.91 CES2 (0.39) CES2FDPS
Hexane SCHEMBL16758670 0.90 CES2 (0.45) CES2
Hexane SCHEMBL15967387 0.90 CES2 (0.45) CES2
Heptane SCHEMBL3805263 0.90 CES2 (0.45) CES2
SCHEMBL8897727 0.89 CES2 (0.39) CES2FDPSGGPS1
Pentane SCHEMBL16758665 0.86 PAOX (0.42) CES2

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
EP-0185814-B1 PHENYLSERINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 — — EP disclosed
US-4695580-A Phenylserine derivatives and processes for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1987-09-22 — — US disclosed
EP-0185814-A2 Phenylserine derivatives and processes for their preparation SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-02 — — EP disclosed