Sugi Predict

Sugi Predict / Compounds / Isobutanol

Isobutanol

Isobutanol

SCHEMBL30450802

CC(C)CO.CC(C)CO.CC(C)CO.CC(C)CO.OCC(CO)(CO)CO

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ DPP4 P27487 1/20 0.32
▸ CA2 P00918 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
Propylene Glycol SCHEMBL694327 0.83 TDP1 (0.67) TSHRALDH1A1TDP1DPP4
Isopropyl Alcohol SCHEMBL28439673 0.81 ALDH1A1 (0.46) TSHRALDH1A1TDP1DPP4
Isobutanol SCHEMBL969 0.80 — —
Isobutanol SCHEMBL11800894 0.80 TSHR (1.00) TSHRALDH1A1TDP1CA2
Isobutanol SCHEMBL175952 0.80 TSHR (1.00) TSHRALDH1A1TDP1CA2
Isobutanol SCHEMBL23672280 0.76 — —
Isobutanol SCHEMBL11366415 0.76 — —
Isobutanol SCHEMBL60555 0.76 — —
Isobutanol SCHEMBL1308019 0.76 TSHR (0.90) TSHRALDH1A1TDP1CA2
Isobutanol SCHEMBL9759733 0.76 TSHR (0.90) TSHRALDH1A1TDP1CA2

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-2023085811-A1 PLASTICIZER COMPOSITION AND VINYL CHLORIDE RESIN COMPOSITION COMPRISING SAME 한화솔루션 주식회사 2023-05-19 — — WO claimed
WO-2023085811-A1 PLASTICIZER COMPOSITION AND VINYL CHLORIDE RESIN COMPOSITION COMPRISING SAME 한화솔루션 주식회사 2023-05-19 — — WO disclosed