SCHEMBL8435648

SCHEMBL8435648

[CH2]C(OCC)OC(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8437624 0.79 LMNA (0.39)
SCHEMBL8436735 0.79 HSD17B10 (0.31)
SCHEMBL5712100 0.79 LMNA (0.39)
SCHEMBL199633 0.78
SCHEMBL8438320 0.76
SCHEMBL2822791 0.76
SCHEMBL8438077 0.75 DNM1 (0.33)
SCHEMBL5712115 0.75 LMNA (0.36)
SCHEMBL2504007 0.75
SCHEMBL29268386 0.74 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101003499-B Novel color former and recording material ASAHI CHEMICAL IND 2011-01-19 CN claimed
CN-1140528-C Process for preparing herbicidal derivatives �����ɷ� 2004-03-03 CN disclosed
CN-1355806-A Process for preparation of herbicidal derivatives SYNGENA PARTICIPATIONS AG (CH) 2002-06-26 CN disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed