Fluoride

Fluoride

SCHEMBL9760387

CCCCCCCCCCCCCCCCCCNC(CCN)CCO.F.F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 1/20 0.42
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DNM1 Q05193 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL3124267 0.89 LMNA (0.44) NAAAALDH1A1KDM4ELMNAMEN1
SCHEMBL2567393 0.89 LMNA (0.44) NAAAALDH1A1KDM4ELMNAMEN1
Fluoride SCHEMBL29030324 0.88 GNAI3 (0.42) RRM1GNAI3GNAO1GNAI1SIRT6
Hydrochloric Acid SCHEMBL1804687 0.87 LMNA (0.42) NAAAALDH1A1KDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL5353822 0.87 LMNA (0.42) NAAAALDH1A1KDM4ELMNAMEN1
Bromide SCHEMBL10985393 0.87 LMNA (0.42) NAAAALDH1A1KDM4ELMNAMEN1
SCHEMBL12521850 0.87 SMN1; SMN2 (0.42) DPP7NAAAALDH1A1KDM4ELMNA
SCHEMBL31090421 0.85 RRM1 (0.46) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL28205624 0.84 RRM1 (0.45) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL20142348 0.84 RRM1 (0.45) RRM1DPP7GNAI3GNAO1GNAI1

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
EP-4311580-A1 AMINOACID-FLUORIDE SALTS FOR MOUTH HYGIENE Schäfer, Rolf (CH) 2024-01-31 EP disclosed
CN-113840635-A Oral compositions and methods of use 3M创新有限公司 2021-12-24 CN disclosed
CN-113811282-A Oral compositions and methods of use 3M创新有限公司 2021-12-17 CN disclosed
CN-109152936-B Therapeutic toothpaste and related methods and kits 3M创新有限公司 2021-08-27 CN disclosed
CN-107427428-A Gargle liquid formulation 加巴国际股份有限公司 2017-12-01 CN disclosed
US-5023074-A Containing polyoxyethylene glycol to prevent phase separation COLGATE-PALMOLIVE COMPANY (US) 1991-06-11 US disclosed