SCHEMBL2491373

SCHEMBL2491373

CC1=C[C@@H]2C[C@@H](C1)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CXCR3 P49682 2/20 0.33

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
SCHEMBL15797931 1.00 NFE2L2 (0.41) NFE2L2TSHRMAPK1CXCR3
SCHEMBL7111597 0.71 NFE2L2 (0.47) NFE2L2CXCR3
SCHEMBL1496227 0.57
SCHEMBL3655408 0.57
SCHEMBL18393525 0.57
SCHEMBL3651851 0.57
SCHEMBL16241603 0.57
SCHEMBL2380963 0.57
SCHEMBL17581051 0.57
SCHEMBL12146515 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690528-B2 Breath analysis system and methods for asthma, tuberculosis and lung cancer diagnostics and disease management TricornTech Taiwan (TW) 2023-07-04 US disclosed
US-20200178842-A1 BREATH ANALYSIS SYSTEM AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT TRICORNTECH CORPORATION (TW) 2020-06-11 US disclosed
US-10568541-B2 Breath analysis systems and methods for asthma, tuberculosis and lung cancer diagnostics and disease management TricornTech Taiwan (TW) 2020-02-25 US disclosed
CN-104856679-A Breath analysis systems and methods for asthma, tuberculosis and lung cancer diagnostics and disease management TRICORN TECH CORP 2015-08-26 CN disclosed
EP-2369989-A1 BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT Tricorntech Corporation (US) 2011-10-05 EP disclosed
WO-2010065452-A1 BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT TRICORNTECH CORPORATION (US) 2010-06-10 WO disclosed
US-20100137733-A1 BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT TRICORN TECH CORPORATION (US) 2010-06-03 US disclosed