Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL10325977

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.83
▸ TSHR P16473 2/20 0.83
▸ TP53 P04637 1/20 0.83

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 SCHEMBL1283445 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL5984068 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL3304587 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL1405690 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL23535052 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL108943 1.00 — —
Butadiene SCHEMBL23535058 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL2784523 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL5913606 0.96 ALDH1A1 (0.77) ALDH1A1TSHRTP53
Butadiene SCHEMBL28974268 0.96 ALDH1A1 (0.77) ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693159-B1 VIBRATION-CONTROLLING SHEET HAVING NUMEROUS THROUGH-HOLES KURARAY PLASTICS CO (JP) 2023-05-10 — — EP disclosed
EP-3693159-A1 VIBRATION-CONTROLLING SHEET HAVING NUMEROUS THROUGH-HOLES KURARAY PLASTICS CO., LTD. (JP) 2020-08-12 — — EP disclosed
US-20200248033-A1 VIBRATION-CONTROLLING SHEET HAVING NUMEROUS THROUGH-HOLES KURARAY PLASTICS CO., LTD. (JP) 2020-08-06 — — US disclosed
EP-2484723-B1 SEALING MATERIAL FOR MEDICAL USE COMPRISING A THERMOPLASTIC ELASTOMER COMPOSITION KURARAY CO (JP) 2020-06-17 — — EP disclosed
CN-102575083-B Thermoplastic elastomer composition, molded article, and medical sealing material KURARAY CO.,LTD. (JP) 2016-01-20 — — CN disclosed
US-8973781-B2 Container stopper comprising foam-molded article KURARAY CO., LTD. (JP) 2015-03-10 — — US disclosed
EP-2484717-B1 CONTAINER STOPPER COMPRISING FOAM-MOLDED ARTICLE KURARAY CO (JP) 2014-12-31 — — EP disclosed
CN-102549054-B Container stopper comprising foam molded body KURARAY CO 2013-10-16 — — CN disclosed
EP-2484717-A1 CONTAINER STOPPER COMPRISING FOAM-MOLDED ARTICLE Kuraray Co., Ltd. (JP) 2012-08-08 — — EP disclosed
EP-2484723-A1 THERMOPLASTIC ELASTOMER COMPOSITION, MOLDED ARTICLE, AND SEALING MATERIAL FOR MEDICAL USE Kuraray Co., Ltd. (JP) 2012-08-08 — — EP disclosed
US-20120190786-A1 THERMOPLASTIC ELASTOMER COMPOSITION, MOLDED ARTICLE, AND SEALING MATERIAL FOR MEDICAL USE KURARAY CO., LTD (JP) 2012-07-26 — — US disclosed
US-20120181295-A1 CONTAINER STOPPER COMPRISING FOAM-MOLDED ARTICLE KURARAY CO., LTD. (JP) 2012-07-19 — — US disclosed
CN-102575083-A Thermoplastic elastomer composition, molded article, and medical sealing material KURARAY CO 2012-07-11 — — CN disclosed
CN-102549054-A Container stopper comprising foam molded body KURARAY CO 2012-07-04 — — CN disclosed