SCHEMBL19699299

SCHEMBL19699299

CC(O)CN(CCO)CCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23698337 0.92 TSHR (0.39) MAPTALDH1A1TSHRKDM4E
SCHEMBL15177 0.92 TSHR (0.39) MAPTALDH1A1TSHRKDM4E
SCHEMBL22354524 0.88 KDM4E (0.33) TSHRKDM4E
SCHEMBL11210027 0.88 MAPT (0.46) MAPTALDH1A1TSHRKDM4E
SCHEMBL3826312 0.87 TSHR (0.39) MAPTALDH1A1TSHRKDM4E
SCHEMBL22739910 0.87 TSHR (0.39) MAPTALDH1A1TSHRKDM4E
SCHEMBL182026 0.87 TSHR (0.39) MAPTALDH1A1TSHRKDM4E
SCHEMBL3928045 0.85 TSHR (0.38) MAPTALDH1A1TSHRKDM4E
SCHEMBL20994688 0.85 TDP1 (0.40) MAPTALDH1A1TSHRKDM4E
SCHEMBL131477 0.85 TDP1 (0.40) MAPTALDH1A1TSHRKDM4E

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
US-10836856-B2 Amine-imino dialcohol neutralizing agents for low volatile compound aqueous organic coating compositions and methods for using same RHODIA OPERATIONS (FR) 2020-11-17 US disclosed
US-20170355806-A1 AMINE-IMINO DIALCOHOL NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND AQUEOUS ORGANIC COATING COMPOSITIONS AND METHODS FOR USING SAME RHODIA OPERATIONS (FR) 2017-12-14 US disclosed
US-20170355806-A1 AMINE-IMINO DIALCOHOL NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND AQUEOUS ORGANIC COATING COMPOSITIONS AND METHODS FOR USING SAME RHODIA OPERATIONS (FR) 2017-12-14 US disclosed