Fluoride Ion

Fluoride Ion

SCHEMBL18784585

C[n+]1c(C(F)(F)F)n(Cc2ccccc2)c2ccccc21.[F-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ RGS12 O14924 2/20 0.38
▸ APOBEC3A P31941 2/20 0.38
▸ APOBEC3G Q9HC16 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ P2RX4 Q99571 1/20 0.37
▸ PDE6D O43924 1/20 0.37
▸ ALDH2 P05091 1/20 0.37

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
Bromide SCHEMBL18784481 0.97 SMN1; SMN2 (0.41) CYP19A1TNFSMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL18784392 0.97 CYP19A1 (0.41) CYP19A1TNFSMN1; SMN2LMNAMEN1
Iodide SCHEMBL18784414 0.97 CYP19A1 (0.41) CYP19A1TNFSMN1; SMN2LMNAMEN1
SCHEMBL18784574 0.94 TNF (0.39) CYP19A1TNFSMN1; SMN2LMNAMEN1
SCHEMBL18784580 0.90 LMNA (0.44) CYP19A1TNFSMN1; SMN2LMNAMEN1
Trifluoromethanesulfonic Acid SCHEMBL18784403 0.88 LMNA (0.43) CYP19A1TNFLMNACFTRP2RX4
SCHEMBL18784615 0.86 LMNA (0.55) TNFSMN1; SMN2LMNAMEN1ALDH1A1
Fluoride Ion SCHEMBL18784475 0.83 PTPN1 (0.38) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A
Iodide SCHEMBL18784513 0.80 PTPN1 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL18784499 0.80 PTPN1 (0.38) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A

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-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 CYP19A1 1337/4885TNF 4860/4885SMN1; SMN2 4434/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 CYP19A1 1337/4885TNF 4860/4885SMN1; SMN2 4434/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 CYP19A1 1337/4885TNF 4860/4885SMN1; SMN2 4434/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 CYP19A1 1337/4885TNF 4860/4885SMN1; SMN2 4434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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