SCHEMBL28066566

SCHEMBL28066566

CCCCO[PH](=O)OCC(CC)CCCC.[Nd]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.39
CA2 P00918 3/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14988343 0.98 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30111778 0.97 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30250310 0.97 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28689341 0.93 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27460324 0.92 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27459583 0.92 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27459217 0.92 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28749698 0.92 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL329554 0.91 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
Hexane SCHEMBL28501779 0.89 CYP3A4 (0.53) 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 8 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-113677719-B Modified high cis polydiene polymers, related methods and rubber compositions 株式会社普利司通 2024-12-27 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
CN-112029023-B Aged lanthanide-based catalyst systems and their use in the preparation of cis-1, 4-polydienes 株式会社普利司通 2023-10-20 CN disclosed
CN-115461382-A Metal-based catalyst for the production of polydienes 普利司通美国轮胎运营有限责任公司 2022-12-09 CN disclosed
CN-112048111-B Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2022-12-02 CN disclosed
CN-104039843-B Prepare the method for polydiene BRIDGESTONE CO.,LTD. (JP) 2016-05-18 CN disclosed