SCHEMBL21152522

SCHEMBL21152522

NCCCCn1cnnn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LTB4R Q15722 1/20 0.38
TP53 P04637 3/20 0.36
RAB9A P51151 1/20 0.34
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
LTA4H P09960 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NFKB1 P19838 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HMOX1 P09601 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
SCHEMBL27085531 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALTB4RTP53
SCHEMBL1178980 0.93
SCHEMBL21111146 0.89 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ALTB4RTP53
SCHEMBL541827 0.84
SCHEMBL21111106 0.84 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ALTB4RTP53
SCHEMBL233016 0.80 MEN1 (0.65) ALDH1A1MEN1KMT2ALTB4RTP53
SCHEMBL20915274 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL20915528 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL20936481 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL20915262 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US claimed
US-20220275146-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-09-01 US claimed
EP-3999570-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-05-25 EP claimed
CN-114127150-A Allophanate-based dispersants 巴斯夫欧洲公司 2022-03-01 CN claimed
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US disclosed
US-20220275146-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-09-01 US disclosed
EP-3999570-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-05-25 EP disclosed
CN-114127150-A Allophanate-based dispersants 巴斯夫欧洲公司 2022-03-01 CN disclosed
EP-3508488-A1 USE OF A COPPER(II) AZIDE COMPLEX AS A PRIMARY EXPLOSIVE EMTO GmbH (DE) 2019-07-10 EP disclosed