Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL23701717

C=C(C)C.C=CC=C.C=CC=C

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
Butadiene SCHEMBL736655 1.00 — —
Butadiene SCHEMBL10538556 1.00 ALDH1A1 (0.54) ALDH1A1TSHRTP53TDP1HSD17B10
Butadiene SCHEMBL18316996 0.88 ALDH1A1 (0.44) ALDH1A1TSHRTP53
Butadiene SCHEMBL7039124 0.88 ALDH1A1 (0.77) ALDH1A1TSHRTP53
Butadiene SCHEMBL8366238 0.86 ALDH1A1 (0.50) ALDH1A1TSHRTP53TDP1
Butadiene SCHEMBL2784523 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL10325977 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL23535052 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL23535058 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL108943 0.82 — —

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-2021155365-A1 FLEXIBLE HIGH-PRESSURE FLUID CONVEYING PIPE KURARAY CO., LTD. (JP) 2021-08-05 — — WO disclosed
US-20210237390-A1 FLEXIBLE HIGH-PRESSURE FLUID CONVEYING PIPE KURARAY CO., LTD. (JP) 2021-08-05 — — US disclosed