Butadiene

Butadiene

SCHEMBL4607813

C=C(C)C(=O)OCCCCCCCC(C)C.C=CC=C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.57
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ PTPN1 P18031 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ PLA2G2C Q5R387 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
SCHEMBL31589278 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL31589357 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL9947749 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL30338 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL19991477 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL36424 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL216465 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL2458485 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL20503431 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT
SCHEMBL31589289 0.93 TSHR (0.65) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729971-B1 INK RECEIVING MATERIAL AND METHOD FOR ITS' PREPARATION EASTMAN KODAK CO (US) 2008-07-23 — — EP claimed
US-20080160231-A1 Ink Receiving Material EASTMAN KODAK COMPANY 2008-07-03 — — US claimed
US-20070043147-A1 PARTICULATE POLYMERIC MATERIAL EASTMAN KODAK COMPANY 2007-02-22 — — US claimed
EP-1729971-A1 INK RECEIVING MATERIAL EASTMAN KODAK COMPANY (US) 2006-12-13 — — EP claimed
WO-2005095113-A1 INK RECEIVING MATERIAL EASTMAN KODAK COMPANY (US) 2005-10-13 — — WO claimed
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