SCHEMBL2452243

SCHEMBL2452243

C=CC[n+]1ccccc1.CO[PH](=O)[O-]

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
SCHEMBL45415 0.78 — —
SCHEMBL2451691 0.77 — —
SCHEMBL2455374 0.77 CHRM2 (0.33) —
Formic Acid SCHEMBL2455098 0.77 BCHE (0.32) —
Bromide SCHEMBL360656 0.76 BCHE (0.42) —
Hydrochloric Acid SCHEMBL2396836 0.76 BCHE (0.38) —
Iodide SCHEMBL5497666 0.76 BCHE (0.38) —
Water SCHEMBL2849073 0.76 BCHE (0.38) —
Fluoride Ion SCHEMBL4636416 0.76 BCHE (0.38) —
Ammonia Solution, Strong SCHEMBL2464602 0.76 BCHE (0.38) —

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-2547822-B1 PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE UNIV HELSINKI (FI) 2014-07-02 — — EP disclosed
US-20130056165-A1 PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE UNIVERSITY OF HELSINKI (FI) 2013-03-07 — — US disclosed
EP-2547822-A1 PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE University Of Helsinki (FI) 2013-01-23 — — EP disclosed
WO-2011114004-A1 PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE UNIVERSITY OF HELSINKI (FI) 2011-09-22 — — WO disclosed
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