SCHEMBL8423532

SCHEMBL8423532

CCCCCCCCCCCCCCCC[P+](CC)(CC)CCCCCCCCCCCCCCCC.O=[N+]([O-])[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.54
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CA2 P00918 1/20 0.36
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
GPR84 Q9NQS5 3/20 0.34
FDPS P14324 3/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL11387595 0.95 DNM1 (0.54) DNM1ALDH1A1TSHRTHRBCA2
SCHEMBL13277882 0.91 DNM1 (0.67) DNM1ALDH1A1TSHRTHRBCA2
SCHEMBL25220984 0.91 DNM1 (0.67) DNM1ALDH1A1TSHRTHRBCA2
SCHEMBL7558646 0.91 DNM1 (0.67) DNM1ALDH1A1TSHRTHRBCA2
SCHEMBL2316860 0.91 DNM1 (0.46) DNM1ALDH1A1TSHRCA2CES2
SCHEMBL10533550 0.88 DNM1 (0.71) DNM1ALDH1A1TSHRTHRBCA2
Hydrochloric Acid SCHEMBL5087764 0.83 DNM1 (0.68) DNM1TSHRTHRB
Bromide SCHEMBL5088021 0.83 DNM1 (0.74) DNM1ALDH1A1TSHRTHRB
Iodide SCHEMBL5086804 0.83 DNM1 (0.68) DNM1ALDH1A1TSHRTHRB
Bromide SCHEMBL5092312 0.83 DNM1 (0.74) DNM1ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946600-A1 METHOD FOR THE EPOXIDATION OF UNSATURATED POLYMERS SARTOMER COMPANY, INC. (US) 1999-10-06 EP disclosed
WO-1998028338-A1 METHOD FOR THE EPOXIDATION OF UNSATURATED POLYMERS SARTOMER COMPANY, INC. (US) 1998-07-02 WO disclosed