Sugi Predict

Sugi Predict / Compounds / 2-Methylbutanal

2-Methylbutanal

2-Methylbutanal

SCHEMBL21372552

CC(C)CC=O.CCC(C)C=O

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 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
2-Methylbutanal SCHEMBL11077554 0.86 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2
2-Methylbutanal SCHEMBL43412 0.84 — —
2-Methylbutanal SCHEMBL29210931 0.84 TSHR (0.38) ALDH1A1MAPK1TDP1TSHRSMN1; SMN2
2-Methylbutanal SCHEMBL933421 0.84 — —
2-Methylbutanal SCHEMBL3485198 0.84 — —
2-Methylbutanal SCHEMBL7962607 0.81 TSHR (0.39) TSHR
2-Methylbutanal SCHEMBL5007611 0.81 — —
2-Methylbutanal SCHEMBL3673084 0.81 — —
2-Methylbutanal SCHEMBL20872392 0.81 — —
2-Methylbutanal SCHEMBL976585 0.81 — —

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-3383192-B1 CRUMB CHOCOLATE FLAVOR COMPOSITIONS MARS INC (US) 2019-09-25 — — EP claimed
CN-101076257-B Method of storing fragrant component SUNTORY LTD 2011-10-26 — — CN disclosed
CN-101076257-A Method of storing fragrant component SUNTORY LTD (JP) 2007-11-21 — — CN disclosed