SCHEMBL25210345

SCHEMBL25210345

CCn1cnc(C)c1.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
QPCT Q16769 10/20 0.37
ALPL P05186 2/20 0.37
PLAA Q9Y263 1/20 0.37
ALPG P10696 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CPB2 Q96IY4 1/20 0.34
MAP3K5 Q99683 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27815378 0.98 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
Bromide SCHEMBL28926580 0.89
Hydrochloric Acid SCHEMBL28156706 0.89
SCHEMBL28296899 0.84 ALPL (0.39) CYP3A4CYP2C9CYP2C19QPCTALPL
Ammonia Solution, Strong SCHEMBL28248677 0.82 ALPL (0.38) CYP3A4CYP2C9CYP2C19QPCTALPL
SCHEMBL27953432 0.81 QPCT (0.42) CYP3A4CYP2C9CYP2C19QPCTALPL
Phosphoric Acid SCHEMBL3326759 0.80 ALPL (0.42) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
Phosphoric Acid SCHEMBL3326768 0.80 ALPL (0.42) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL27639473 0.79 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL27639294 0.77 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119452083-A (S) -engineered glycolonitrile aldolase polypeptides and uses thereof 诺华股份有限公司 2025-02-14 CN claimed
US-20250188502-A1 BIOCATALYST AND METHOD FOR THE SYNTHESIS OF UBROGEPANT INTERMEDIATES ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2025-06-12 US disclosed
CN-119452083-A (S) -engineered glycolonitrile aldolase polypeptides and uses thereof 诺华股份有限公司 2025-02-14 CN disclosed
US-20250043323-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF PREGABALIN INTERMEDIATES Enzymaster (Ningbo) Bio-Engineering Co., Ltd (CN) 2025-02-06 US disclosed
EP-4490281-A1 BIOCATALYST AND METHOD FOR THE SYNTHESIS OF UBROGEPANT INTERMEDIATES Enzymaster (Ningbo) Bio-Engineering Co., Ltd. (CN) 2025-01-15 EP disclosed
EP-4433602-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF PREGABALIN INTERMEDIATES Enzymaster (Ningbo) Bio-Engineering Co., Ltd. (CN) 2024-09-25 EP disclosed
CN-117425732-A Biocatalysts and methods for synthesizing pregabalin intermediates 宁波酶赛生物工程有限公司 2024-01-19 CN disclosed
CN-117425728-A Biocatalysts and methods for synthesizing a Ubbelopam intermediate 宁波酶赛生物工程有限公司 2024-01-19 CN disclosed
WO-2023185184-A1 MONOAMINE OXIDASE AND APPLICATION THEREOF 青岛清原化合物有限公司 2023-10-05 WO disclosed
WO-2023169071-A1 MONOAMINE OXIDASE AND USE THEREOF 青岛清原化合物有限公司 2023-09-14 WO disclosed
CN-110088079-A Novel method for early sakabutril intermediate 诺华股份有限公司 2019-08-02 CN disclosed
CN-109863162-A Engineered imine reductases and methods for reductive amination of ketone and amine compounds 科德克希思公司 2019-06-07 CN disclosed
CN-109715182-A It is engineered β-glucosyl enzym and glucosylation method 科德克希思公司 2019-05-03 CN disclosed
CN-109715817-A Hydroxylated biocatalyst and method for compound 科德克希思公司 2019-05-03 CN disclosed
CN-108602785-A Novel process and intermediates 诺华股份有限公司 2018-09-28 CN disclosed
CN-107699548-A Hydroxylated biocatalyst and method for compound 科德克希思公司 2018-02-16 CN disclosed
CN-104428412-B Biocatalysts and methods for hydroxylation of chemical compounds 科德克希思公司 2017-09-08 CN disclosed
CN-104185634-B Chemical process for preparing spiroindolones and intermediates thereof 诺华股份有限公司 2017-05-03 CN disclosed
CN-106479990-A For preparing the biocatalyzer of the carbamate of hydroxyl replacement 科德克希思公司 2017-03-08 CN disclosed
CN-104053771-B Biocatalysts for the preparation of hydroxy-substituted carbamates 科德克希思公司 2016-11-09 CN disclosed