SCHEMBL4731479

SCHEMBL4731479

C[C](O)CF

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
SCHEMBL10961131 0.76
SCHEMBL387713 0.74
Fluoroacetate SCHEMBL27881898 0.70
SCHEMBL8921548 0.70
SCHEMBL230901 0.70
SCHEMBL79002 0.70
Bicarbonate SCHEMBL20423895 0.68 FFAR3 (0.40)
SCHEMBL27731102 0.67
SCHEMBL13651723 0.67
SCHEMBL18632357 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442945-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-08 EP claimed
US-10370355-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2019-08-06 US claimed
US-20190106406-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2019-04-11 US claimed
EP-3442945-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2019-02-20 EP claimed
CN-108884050-A Tetrahydroisoquinoline derivatives UCB生物制药私人有限公司 2018-11-23 CN claimed
WO-2017178377-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-10-19 WO claimed
CN-103732596-B Pyrrolopyrimidine derivatives NOVARTIS AG (CH) 2016-06-01 CN claimed
CN-102952059-A Amide derivative and preparation method thereof, medicine composition and application SHANGHAI PHARMACEUTICALS HOLDING CO LTD 2013-03-06 CN claimed
CN-102351918-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation BOEHRINGER INGELHEIM INT 2012-02-15 CN claimed
CN-101790520-A Method for preparing halogenated amines WYETH CORP 2010-07-28 CN claimed
CN-101437807-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2009-05-20 CN claimed
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN claimed
CN-101384576-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INT (DE) 2009-03-11 CN claimed
EP-3442945-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-08 EP disclosed
US-10370355-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2019-08-06 US disclosed
US-20190106406-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2019-04-11 US disclosed
US-4251534-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4251534-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4218448-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 US disclosed
US-4218448-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 US disclosed