SCHEMBL28484349

SCHEMBL28484349

CCCCOCCOCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CES1 P23141 1/20 0.41
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
GBA2 Q9HCG7 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RARB P10826 1/20 0.33
CES2 O00748 2/20 0.32
GBA1 P04062 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
SCHEMBL13106440 0.95 TSHR (0.48) TSHRCYP3A4MEN1THRBHTT
SCHEMBL4492563 0.95 TSHR (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27491168 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28385755 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28418608 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL23921500 0.88 HTT (0.41) TSHRCYP3A4MEN1THRBHTT
SCHEMBL4494245 0.87 CES1 (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL23921602 0.86 CES1 (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL4506308 0.85 CES1 (0.55) TSHRMEN1THRBHTTKMT2A
SCHEMBL4491457 0.85 CES1 (0.55) TSHRMEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115128899-A Photosensitive resin composition with improved system hue stability 常州正洁智造科技有限公司 2022-09-30 CN disclosed
CN-112835261-B EO/PO modified 9-phenylacridine photosensitizer and application thereof 常州强力电子新材料股份有限公司 2022-06-07 CN disclosed
CN-112062721-A HABI photoinitiator capable of improving system stability and application thereof 常州正洁智造科技有限公司 2020-12-11 CN disclosed
CN-111752091-A Application of HABI mixed photoinitiator in UVLED photocuring 常州格林感光新材料有限公司 2020-10-09 CN disclosed