SCHEMBL2354154

SCHEMBL2354154

CCCC(=O)CCO.[Ti]

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
SCHEMBL1820883 0.97
SCHEMBL29012415 0.94
SCHEMBL27714998 0.94
SCHEMBL19879560 0.89 KMT2A (0.50)
Alcohol SCHEMBL989765 0.84 CES2 (0.53)
SCHEMBL8119186 0.84 CES2 (0.60)
SCHEMBL25174 0.84
SCHEMBL1772045 0.81 CES2 (0.56)
SCHEMBL28760889 0.81
Hydrochloric Acid SCHEMBL28404295 0.81

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-2351872-B1 TREATMENT METHOD USING PLASMA MIYAHARA HIDEKAZU (JP) 2021-06-09 EP disclosed
US-20110236593-A1 Treatment Method Using Plasma OKINO AKITOSHI 2011-09-29 US disclosed
EP-2351872-A1 TREATMENT METHOD USING PLASMA Tokyo Institute of Technology (JP) 2011-08-03 EP disclosed