Heptane

Heptane

SCHEMBL8328780

CCCCCCC.CCCCCCCl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ TDP1 Q9NUW8 1/20 0.71
▸ THRB P10828 1/20 0.61
▸ DNM1 Q05193 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44

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
SCHEMBL11553578 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL5571359 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL868627 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL4055210 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
Heptane SCHEMBL8333015 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL1989401 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL5575213 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL5572997 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL22186971 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL230465 1.00 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707588-A4 IMPROVED ALKYLLITHIUM PROCESS FMC CORP (US) 1999-06-09 — — EP disclosed
EP-0707588-A1 IMPROVED ALKYLLITHIUM PROCESS FMC CORPORATION (US) 1996-04-24 — — EP disclosed
WO-1995001982-A1 IMPROVED ALKYLLITHIUM PROCESS FMC CORPORATION (US) 1995-01-19 — — WO disclosed
US-5332533-A Reacting alkyl halide with lithium metal particles in a liquid hydrocarbon solvent FMC CORPORATION (US) 1994-07-26 — — US disclosed
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