SCHEMBL9506351

SCHEMBL9506351

CC(C)=C(O)C(C)(C)CO.CC(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL6865286 0.83
SCHEMBL8042336 0.77 CYP1A2 (0.35) ALDH1A1TP53
Acetic Acid SCHEMBL11758837 0.75 ALDH1A1 (0.36) ALDH1A1TDP1TP53
SCHEMBL1636728 0.74 TP53 (0.38) ALDH1A1TDP1TP53
SCHEMBL7934758 0.74 TP53 (0.38) ALDH1A1TDP1TP53
SCHEMBL11363406 0.71 GABRR1 (0.40) ALDH1A1TDP1TP53
SCHEMBL28610519 0.71 GABRR1 (0.40) ALDH1A1TDP1TP53
SCHEMBL11365409 0.71 GABRR1 (0.40) ALDH1A1TDP1TP53
SCHEMBL28295727 0.70 GABRR1 (0.41) ALDH1A1TP53
SCHEMBL3676347 0.69 CYP1A2 (0.38) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110892026-A Crosslinkable aqueous coating composition 帝斯曼知识产权资产管理有限公司 2020-03-17 CN disclosed
EP-0258988-B1 MASTIC AND CAULKING COMPOSITIONS AND COMPOSITE ARTICLES ROHM AND HAAS COMPANY (US) 1993-06-16 EP disclosed
US-5135813-A Mastic and caulking composite articles UNION OIL COMPANY OF CALIFORNIA (US) 1992-08-04 US disclosed
US-5124202-A Phyllosilicate containing aminoplast wear layer for resilient surface coverings ARMSTRONG WORLD INDUSTRIES, INC. (US) 1992-06-23 US disclosed
US-5120607-A Latex, zinc-containing pigment, polyphosphate UNION OIL COMPANY OF CALIFORNIA (US) 1992-06-09 US disclosed
US-5073445-A Mastic and caulking compositions and composite articles UNION OIL COMPANY OF CALIFORNIA (US) 1991-12-17 US disclosed
US-5055511-A Wet adhesion; organoacyl or cyano containing polymer, zinc compound, polyphosphate UNION OIL COMPANY OF CALIFORNIA (US) 1991-10-08 US disclosed
EP-0258988-A2 Mastic and caulking compositions and composite articles ROHM AND HAAS COMPANY (US) 1988-03-09 EP disclosed