SCHEMBL30239293

SCHEMBL30239293

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C2CCCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1.[Ru]

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL29489277 0.99 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2MEN1ALDH1A1
SCHEMBL30338254 0.78 TSHR (0.36) TSHR
SCHEMBL29489278 0.77 ROCK2 (0.34)
SCHEMBL29651870 0.77
SCHEMBL30017903 0.74
SCHEMBL16834202 0.74 ALDH1A1 (0.34) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30428128 0.74 TSHR (0.34) TSHR
Hydrochloric Acid SCHEMBL2961475 0.73 MAPT (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL17459753 0.73 ALDH1A1 (0.33) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30514530 0.73 HPGD (0.33) ALDH1A1

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
WO-2023158768-A1 DUAL CATALYST SYSTEM FOR MASS ROMP AND CATIONIC POLYMERIZABLE COMPOSITIONS PROMERUS, LLC (US) 2023-08-24 WO disclosed
CN-111479831-B Hydrogenation of nitrile rubber latex 阿朗新科德国有限责任公司 2023-02-03 CN disclosed