SCHEMBL21111241

SCHEMBL21111241

O=C(/C=C/[C@@H]1CNCCO1)OC(=O)C(F)(F)F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Trifluoroacetic Acid SCHEMBL21111240 0.78 SLC6A2 (0.32)
SCHEMBL29824707 0.78 HCAR2 (0.38)
SCHEMBL22009153 0.74 L3MBTL1 (0.44)
SCHEMBL17130986 0.74 L3MBTL1 (0.44)
SCHEMBL20179828 0.74 SLC6A2 (0.34)
SCHEMBL30785730 0.74 SLC6A2 (0.34)
SCHEMBL21191249 0.74 SLC6A2 (0.34)
SCHEMBL21111218 0.73 SSTR4 (0.37)
SCHEMBL5963180 0.72 SLC6A2 (0.34)
SCHEMBL19551070 0.72 SSTR4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766880-B1 SOLID FORM OF DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-07-26 EP disclosed
US-11434235-B2 Solid form of dihydropyrimidine compound and preparation method therefor and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-09-06 US disclosed
US-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
EP-3508483-B1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-10-06 EP disclosed
US-20210024514-A1 SOLID FORM OF DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-01-28 US disclosed
EP-3766880-A1 SOLID FORM OF DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-01-20 EP disclosed
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-08-13 US disclosed
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-30 US disclosed
US-20190225603-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2019-07-25 US disclosed
EP-3508483-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-07-10 EP disclosed