SCHEMBL7872175

SCHEMBL7872175

[CH2]C(C)(Cl)C(Cl)CCCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8310868 0.80 DNM1 (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL7875823 0.79
SCHEMBL8465036 0.77 DNM1 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL28136609 0.77 DNM1 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL2270760 0.73 FDPS (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL2229881 0.73 DNM1 (0.35) DNM1ALDH1A1TDP1
SCHEMBL832921 0.73 DNM1 (0.35) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL834245 0.73 DNM1 (0.35) DNM1ALDH1A1TDP1
SCHEMBL9528056 0.73 DNM1 (0.35) DNM1ALDH1A1TDP1
SCHEMBL28713915 0.73 TSHR (0.35) DNM1CA2MAPK1CA1ALDH1A1

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-0719839-B1 Phthalocyanine compounds and optical recording media comprising them MITSUI CHEMICALS INC (JP) 2001-07-25 EP disclosed
US-5693396-A NEAR INFRARED LIGHT ABSORBERS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-02 US disclosed
EP-0719839-A2 Phthalocyanine compounds and optical recording media comprising them MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-07-03 EP disclosed