SCHEMBL30906016

SCHEMBL30906016

CCCCC(CC)CO[PH2]=O.[Ni]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 8/20 0.43
CA2 P00918 3/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL2231655 0.98 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29424244 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4441959 0.92 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL7695475 0.78 CYP3A4 (0.39) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30578306 0.77 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL453936 0.77 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL11308779 0.75 CYP3A4 (0.38) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL6435151 0.74 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9493941 0.74 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL5198521 0.73 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM

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
CN-113825777-B Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2025-01-28 CN disclosed
CN-118574860-A Hydrogenated polybutadiene polymer and rubber composition containing the same 株式会社普利司通 2024-08-30 CN disclosed
CN-113906058-B Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2024-05-17 CN disclosed