SCHEMBL9762839

SCHEMBL9762839

N#CCN(CC#N)C(C#N)CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
MAPK1 P28482 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
SCHEMBL6544383 0.75 CYP1A2 (0.36) CYP1A2MAPK1
SCHEMBL8027013 0.75 CYP1A2 (0.31) CYP1A2MAPK1
SCHEMBL6545398 0.71 CYP1A2 (0.43) CYP1A2MAPK1
SCHEMBL8773721 0.66 TSHR (0.38)
SCHEMBL8435513 0.66 CYP1A2 (0.33) CYP1A2MAPK1
SCHEMBL9619819 0.65 OR51E2 (0.37)
SCHEMBL7122438 0.65 TSHR (0.32)
SCHEMBL16580145 0.63 CYP1A2 (0.44) CYP1A2MAPK1
SCHEMBL1582129 0.63 CYP1A2 (0.44) CYP1A2MAPK1
SCHEMBL1852845 0.62

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
US-5019296-A Bleach stabilizer, builders BASF AKTIENGESELLSCHAFT (DE) 1991-05-28 US disclosed
US-4973730-A FROM NITRILOTRIACETIC ACID AND FORMALDEHYDE, BUILDERS, BLEACH STABILIZER BASF AKTIENGESELLSCHAFT (DE) 1990-11-27 US disclosed
EP-0287885-A1 Process for the preparation of serine-N,N-diacetic acid and its derivatives BASF Aktiengesellschaft (DE) 1988-10-26 EP disclosed