SCHEMBL4975739

SCHEMBL4975739

CCCCOC(C)(OCCCC)N(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4973431 0.85
SCHEMBL216595 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL2000782 0.74
SCHEMBL9648981 0.71 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL10762136 0.71 TSHR (0.44) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL10516 0.71
SCHEMBL2138838 0.71 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL29287853 0.69 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR
Methane SCHEMBL7217295 0.69 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11767470 0.68 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339005-B2 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-04 US disclosed
US-20040152845-A1 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-05 US disclosed
US-6469106-B2 POLYMERIZING A CONJUGATED DIENE COMPOUND IN A HYDROCARBON SOLVENT IN PRESENCE OF ALKALI METAL CATALYST, OBTAINING ACTIVE CONJUGATED DIENE POLYMER HAVING ALKALI METAL END; REACTING WITH AMINE TO MODIFY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
US-20020077429-A1 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED 2002-06-20 US disclosed
US-5213608-A Sulfonylguanidines BAYER AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5167692-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 US disclosed