SCHEMBL29010438

SCHEMBL29010438

Cc1cc(C)c(N2C=CN(C3CCCCCCCCCCC3)C2)c(C)c1.F[B-](F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ TAS1R2 Q8TE23 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ EBP Q15125 1/20 0.30
▸ DHCR7 Q9UBM7 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
SCHEMBL17222819 0.94 ALDH1A1 (0.36) ALDH1A1TSHRPOLBHTTMEN1
SCHEMBL17222809 0.94 ALDH1A1 (0.36) ALDH1A1TSHRPOLBHTTMEN1
SCHEMBL16341302 0.94 ALDH1A1 (0.36) ALDH1A1TSHRPOLBHTTMEN1
SCHEMBL17222815 0.94 ALDH1A1 (0.36) ALDH1A1TSHRPOLBHTTMEN1
Hydrochloric Acid SCHEMBL29010433 0.93 ALDH1A1 (0.35) ALDH1A1TSHRPOLBHTTMEN1
SCHEMBL17222833 0.93 ALDH1A1 (0.33) ALDH1A1TSHRPOLBHTTMEN1
Hydrochloric Acid SCHEMBL29010432 0.91 ALDH1A1 (0.33) ALDH1A1TSHRPOLBHTTMEN1
SCHEMBL31364278 0.79 ALDH1A1 (0.32) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL17173396 0.76 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10
SCHEMBL18088256 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116037203-B Ruthenium catalyst of acetylene hydrochlorination loaded ionic liquid, preparation method and application 贵州重力科技环保股份有限公司 2024-10-29 — — CN disclosed
CN-116037203-A Ruthenium catalyst of acetylene hydrochlorination loaded ionic liquid, preparation method and application 贵州重力科技环保股份有限公司 2023-05-02 — — CN disclosed
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