Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL8668560

C=CC=C.C[N-]C.C[N-]C.C[N-]C.[Ti+3]C1C=Cc2ccccc21

nearest known ligand 0.32

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL8664613 0.85 NOTUM (0.32) HTR6HTR2A
SCHEMBL8671280 0.85 HTR6 (0.31) HTR6HTR2A
SCHEMBL8669757 0.85 — —
SCHEMBL30373042 0.83 HTR2A (0.41) HTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL222444 0.81 HTR2A (0.40) HTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL29386338 0.81 HTR2A (0.40) HTR6HTR2ASIGMAR1
SCHEMBL8669760 0.81 MAOB (0.42) SIGMAR1
SCHEMBL8669882 0.81 — —
SCHEMBL8668770 0.79 NFE2L2 (0.33) —
SCHEMBL8666238 0.77 MAOB (0.38) HTR6SIGMAR1

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-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 — — EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 — — US disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 — — US disclosed