SCHEMBL28046271

SCHEMBL28046271

O=P(OCc1ccccc1)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ TSHR P16473 1/20 0.52
▸ CA12 O43570 8/20 0.49
▸ CA1 P00915 8/20 0.49
▸ CA2 P00918 8/20 0.49
▸ CA4 P22748 8/20 0.49
▸ CA5A P35218 8/20 0.49
▸ CA7 P43166 8/20 0.49
▸ CA9 Q16790 8/20 0.49
▸ CA5B Q9Y2D0 8/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ELANE P08246 1/20 0.43
▸ PRTN3 P24158 1/20 0.43
▸ SRC P12931 2/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ LAP3 P28838 1/20 0.41

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
SCHEMBL29113254 0.87 L3MBTL1 (0.58) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL5400948 0.87 TSHR (0.61) TDP1L3MBTL1TSHRCA2MEN1
SCHEMBL561190 0.80 L3MBTL1 (1.00) TDP1L3MBTL1CA12CA1CA2
SCHEMBL10634585 0.80 L3MBTL1 (0.68) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL11128694 0.80 CA12 (0.70) TDP1L3MBTL1CA12CA1CA2
SCHEMBL381492 0.79 TSHR (0.57) TDP1L3MBTL1TSHRMEN1HTT
SCHEMBL9568480 0.79 TSHR (0.57) TDP1L3MBTL1TSHRMEN1HTT
(Chloromethyl)Benzene SCHEMBL3260170 0.79 L3MBTL1 (0.71) TDP1L3MBTL1CA12CA1CA2
SCHEMBL20710698 0.79 LTA4H (0.52) L3MBTL1TSHRCA12CA1CA2
SCHEMBL11853591 0.78 GAA (0.56) TDP1L3MBTL1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 — — CN disclosed
CN-105793233-B Anil and its utilization 日产化学工业株式会社 2019-03-08 — — CN disclosed
CN-105392771-B Triphenylamine derivative and its utilization 日产化学工业株式会社 2019-01-15 — — CN disclosed
CN-105874879-B Organic electroluminescent element 日产化学工业株式会社 2018-11-13 — — CN disclosed
CN-105324370-B The preparation method of thiophene derivant and its utilization and thiophene derivant 日产化学工业株式会社 2018-09-18 — — CN disclosed
CN-105324360-B Aniline derivative, charge-transporting varnish, and organic electroluminescent element 日产化学工业株式会社 2018-06-22 — — CN disclosed
CN-107602609-A A kind of method that organophosphorus ester compound is prepared with P (O) OH compounds and the hydrocarbon of substituted aroma containing methyl 湖南理工学院 2018-01-19 — — CN disclosed
CN-105612628-B Charge-transporting varnish 日产化学工业株式会社 2017-10-27 — — CN disclosed
CN-105612146-B Aryl sulfonic acid compound and its utilization and the preparation method of aryl sulfonic acid compound 日产化学工业株式会社 2017-10-27 — — CN disclosed
CN-105793233-A Aniline derivatives and uses thereof 日产化学工业株式会社 2016-07-20 — — CN disclosed
CN-105392771-A Triphenylamine derivative and use therefor NISSAN CHEMICAL IND LTD 2016-03-09 — — CN disclosed
CN-105324360-A Aniline derivative, charge-transporting varnish, and organic electroluminescent element NISSAN CHEMICAL IND LTD 2016-02-10 — — CN disclosed
CN-105324370-A Thiophene derivative, use thereof, and production method of thiophene derivative NISSAN CHEMICAL IND LTD 2016-02-10 — — CN disclosed
CN-105210207-A Charge-transporting varnish NISSAN CHEMICAL IND LTD 2015-12-30 — — CN disclosed
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