SCHEMBL18334644

SCHEMBL18334644

C=C(C)COCC[N+](C)(C)CC(O)CCl

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
Hydrochloric Acid SCHEMBL2571287 0.98
SCHEMBL16942591 0.84 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL15622071 0.83 ALDH1A1 (0.33)
SCHEMBL16942592 0.78 PSMD14 (0.37)
SCHEMBL16942589 0.78 PSMD14 (0.33)
Hydrochloric Acid SCHEMBL18423841 0.77 PSMD14 (0.36)
Hydrochloric Acid SCHEMBL15619180 0.77 PSMD14 (0.33)
Hydrochloric Acid SCHEMBL15619182 0.77 PSMD14 (0.33)
Acetic Acid SCHEMBL11420696 0.76 SLC22A16 (0.30)
SCHEMBL16394284 0.75 THRB (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3025368-B1 COMPOSITIONS AND METHODS FOR CMP OF SILICON OXIDE, SILICON NITRIDE, AND POLYSILICON MATERIALS CABOT MICROELECTRONICS CORP (US) 2021-04-14 EP claimed
EP-2744399-B1 CONTROL OF BIOFOULING IN IMPLANTABLE BIOSENSORS UNIV CONNECTICUT (US) 2017-07-12 EP claimed
EP-2384375-B1 ELECTROSPINNING OF PTFE WITH HIGH VISCOSITY MATERIALS ZEUS IND PRODUCTS INC (US) 2017-07-05 EP claimed
EP-3109293-A1 THERMOCHROMIC MICRO PARTICLES AND THERMOCHROMIC INK COMPOSITION, WRITING APPARATUS AND SMART WINDOW USING THE SAME Dong-A Pencil Co., Ltd. (KR) 2016-12-28 EP disclosed