SCHEMBL28328328

SCHEMBL28328328

CCCC=C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD11B1 P28845 1/20 0.32
ADH1A P07327 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SHBG P04278 1/20 0.30
MGLL Q99685 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
SCHEMBL28799287 0.87 NAAA (0.41) NAAACYP1A2
SCHEMBL28799286 0.85 NAAA (0.43) NAAACYP1A2
SCHEMBL29178074 0.84 NAAA (0.46) NAAACYP1A2
SCHEMBL29223408 0.82 NAAA (0.45) NAAACYP1A2
SCHEMBL30604721 0.81 CES2 (0.36) NAAACES2CES1CYP1A2HSD11B1
SCHEMBL29223595 0.79 NAAA (0.42) NAAACYP1A2
SCHEMBL10967102 0.77 CES2 (0.33) CES2CES1MGLL
SCHEMBL28053088 0.77 NAAA (0.33) NAAACES2CES1CYP1A2HSD11B1
SCHEMBL28532544 0.71 CES2 (0.36) CES2CES1MGLL
SCHEMBL18579769 0.71 CES2 (0.36) CES2CES1ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835996-B High-barrier blue liquid crystal film and preparation method thereof 广州光驭超材料有限公司 2022-12-13 CN claimed
CN-114835996-A High-barrier blue liquid crystal film and preparation method thereof 广州光驭超材料有限公司 2022-08-02 CN claimed
CN-115584047-B Flexible photonic crystal metamaterial film with photoinduced color development and mechanochromatic characteristics and preparation method thereof 复旦大学 2023-08-11 CN disclosed
CN-113433727-B Electrochromic optical film and preparation method thereof 珠海光驭科技有限公司 2023-04-07 CN disclosed
CN-115584047-A Flexible photonic crystal metamaterial film with photochromic and mechanochromic characteristics and preparation method thereof 复旦大学 2023-01-10 CN disclosed
CN-114835996-B High-barrier blue liquid crystal film and preparation method thereof 广州光驭超材料有限公司 2022-12-13 CN disclosed
CN-114835996-A High-barrier blue liquid crystal film and preparation method thereof 广州光驭超材料有限公司 2022-08-02 CN disclosed
CN-111018653-B Purification method of cyclohexene liquid crystal intermediate 江阴市华亚化工有限公司 2022-02-18 CN disclosed
CN-113433727-A Electrochromic optical film and preparation method thereof 珠海光驭科技有限公司 2021-09-24 CN disclosed
CN-111018653-A Purification method of cyclohexene liquid crystal intermediate 江阴市华亚化工有限公司 2020-04-17 CN disclosed
CN-110305675-A A kind of preparation method of dicyclohexyl alkanes liquid crystal monomer 江阴市华亚化工有限公司 2019-10-08 CN disclosed