Sugi Predict

Sugi Predict / Compounds / SCHEMBL27368342

SCHEMBL27368342

SCHEMBL27368342

CCCC[CH]CC(C)(C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.30
▸ GGPS1 O95749 2/20 0.30
▸ FDPS P14324 1/20 0.30

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
SCHEMBL27481524 0.89 TSHR (0.39) TSHRTHRBGGPS1
SCHEMBL28356291 0.84 TSHR (0.32) TSHRTHRBGGPS1FDPS
SCHEMBL17607633 0.82 ACE2 (0.39) —
SCHEMBL27865363 0.81 TSHR (0.32) TSHRGGPS1
SCHEMBL28018092 0.80 TSHR (0.35) TSHRTHRBGGPS1FDPS
SCHEMBL27976951 0.80 TSHR (0.35) TSHRTHRBGGPS1FDPS
SCHEMBL27976617 0.80 TSHR (0.35) TSHRTHRBGGPS1FDPS
SCHEMBL27870386 0.79 TSHR (0.35) TSHRTHRBGGPS1
SCHEMBL27660880 0.79 TSHR (0.35) TSHRTHRBGGPS1
SCHEMBL28542877 0.79 TSHR (0.37) TSHRALDH1A1THRBGGPS1

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
CN-1090167-C 2,4-dimethyl-6-s-alkylphenols CIBA SC HOLDING AG (CH) 2002-09-04 — — CN disclosed
CN-1054143-C 2, 4-dimethyl-6-secondary alkylphenols CIBA SC HOLDING AG (CH) 2000-07-05 — — CN disclosed
CN-1229783-A 2,4-dimethyl-6-s-alkylphenols CIBA SC HOLDING AG (CH) 1999-09-29 — — CN disclosed