SCHEMBL28537764

SCHEMBL28537764

CCN(CC)C(O)(CC(C)=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL27845166 0.79 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL159570 0.69 ALDH1A1 (0.40) TET2ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2996525 0.69 TET2 (0.56) TET2ALDH1A1TDP1HMGCRCHRM1
SCHEMBL28817581 0.68
SCHEMBL5177477 0.68 ALDH1A1 (0.31) ALDH1A1TDP1HMGCRCHRM1TBXA2R
Hydrochloric Acid SCHEMBL11581270 0.67 TET2 (0.54) TET2ALDH1A1TDP1HMGCRCHRM1
Acetic Acid SCHEMBL28443277 0.67 FFAR3 (0.37) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL29619903 0.67 TSHR (0.43) TET2ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5145947 0.66 ALDH1A1 (0.60) TET2ALDH1A1TDP1HMGCRCHRM1
SCHEMBL15755909 0.66 ALDH1A1 (0.40) TET2ALDH1A1TDP1HMGCRCHRM1

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-113840714-B High-precision additive manufacturing device and high-yield additive manufacturing system 南京三迭纪医药科技有限公司 2024-06-25 CN disclosed
CN-114701165-B High throughput and high precision pharmaceutical additive manufacturing system 南京三迭纪医药科技有限公司 2024-02-27 CN disclosed
CN-117301512-A High throughput and high precision pharmaceutical additive manufacturing system 南京三迭纪医药科技有限公司 2023-12-29 CN disclosed
CN-112638619-B High throughput and high precision pharmaceutical additive manufacturing system 南京三迭纪医药科技有限公司 2023-10-03 CN disclosed
CN-116507321-A Gastric retentive pharmaceutical dosage forms 南京三迭纪医药科技有限公司 2023-07-28 CN disclosed
CN-114701165-A High-throughput and high-precision drug additive manufacturing system 南京三迭纪医药科技有限公司 2022-07-05 CN disclosed
CN-113840714-A High-precision additive manufacturing device and high-yield additive manufacturing system 南京三迭纪医药科技有限公司 2021-12-24 CN disclosed
CN-112638619-A High-throughput and high-precision drug additive manufacturing system 南京三迭纪医药科技有限公司 2021-04-09 CN disclosed