SCHEMBL29434698

SCHEMBL29434698

c1ccc2cc(C3CO3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SLC6A4 P31645 12/20 0.53
SLC6A2 P23975 8/20 0.53
SLC6A3 Q01959 8/20 0.53
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 6/20 0.45
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 1/20 0.45
DRD2 P14416 1/20 0.44

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
SCHEMBL10300821 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1119954 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL5852687 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
Methyl Alcohol SCHEMBL8766880 0.94 SLC6A4 (0.49) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL25543096 0.94 TSHR (0.52) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL9912114 0.88 SLC6A4 (0.48) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL15274534 0.88 SLC6A4 (0.44) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL8754871 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL8828030 0.79 CYP2A6 (0.52) TSHRSLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL10517137 0.79 SLC6A3 (0.50) SLC6A4SLC6A2SLC6A3HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN claimed
CN-118563343-A Hydroboration reaction method for electrochemical catalysis of epoxy compound 南京林业大学 2024-08-30 CN claimed
CN-117164875-A Preparation method of tubular metal copper phthalocyanine polymer and cyclic carbonate 浙江理工大学 2023-12-05 CN claimed
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN disclosed
CN-118955253-A Fatty alcohol polyether type nonionic surfactant, and preparation method and application thereof 太原理工大学 2024-11-15 CN disclosed
CN-118563343-A Hydroboration reaction method for electrochemical catalysis of epoxy compound 南京林业大学 2024-08-30 CN disclosed
CN-117164875-A Preparation method of tubular metal copper phthalocyanine polymer and cyclic carbonate 浙江理工大学 2023-12-05 CN disclosed
CN-115246761-B Preparation method of polysubstituted naphthalene derivative 清华大学 2023-12-01 CN disclosed
CN-112778224-B Method for synthesizing ganciclovir analogue 河南师范大学 2023-03-21 CN disclosed
CN-115611695-A Preparation method of substituted naphthalene derivative 清华大学 2023-01-17 CN disclosed
CN-115246761-A Preparation method of polysubstituted naphthalene derivative 清华大学 2022-10-28 CN disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed