SCHEMBL30313614

SCHEMBL30313614

C[C@@H]1CCCC[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
MLYCD O95822 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL24928425 1.00 CA1 (0.38) CA1CA2CA4MLYCDTAS1R3
SCHEMBL13090807 1.00 CA1 (0.38) CA1CA2CA4MLYCDTAS1R3
SCHEMBL12346389 1.00 CA1 (0.38) CA1CA2CA4MLYCDTAS1R3
SCHEMBL12820089 1.00 CA1 (0.38) CA1CA2CA4MLYCDTAS1R3
SCHEMBL15978039 1.00 CA1 (0.38) CA1CA2CA4MLYCDTAS1R3
SCHEMBL20417671 0.97 CA1 (0.36) CA1CA2CA4MLYCDTAS1R3
SCHEMBL14430845 0.94 CA1 (0.32) CA1CA2CA4
SCHEMBL21788164 0.94 CA1 (0.32) CA1CA2CA4
SCHEMBL15978038 0.94 CA1 (0.32) CA1CA2CA4
SCHEMBL22539588 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233848-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-11-14 WO disclosed
WO-2024233847-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-11-14 WO disclosed
EP-4430029-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE Vigil Neuroscience, Inc. (US) 2024-09-18 EP disclosed
CN-117597333-A Heterocyclic compounds as receptor 2-triggering agonists expressed on myeloid cells and methods of use 维吉尔神经科学股份有限公司 2024-02-23 CN disclosed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
CN-115867284-A Heterocyclic compounds as trigger receptor 2 agonists expressed on myeloid cells and methods of use 安进公司 2023-03-28 CN disclosed