Fluoride

Fluoride

SCHEMBL6304347

CC(C)(C)c1cccc(C(C)(C)C)c1O[Ti]C1=CC=CC1.F.F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL6312770 0.97 CA2 (0.32) CA2ALDH1A1
Bromide SCHEMBL6312699 0.97 CA2 (0.32) CA2ALDH1A1
Iodide SCHEMBL6307198 0.97 CA2 (0.32) CA2ALDH1A1
Hydrochloric Acid SCHEMBL394712 0.97 CA2 (0.32) CA2ALDH1A1
Fluoride SCHEMBL6311886 0.83 ALDH1A1 (0.37) ALDH1A1
Fluoride SCHEMBL6312234 0.83 CYP3A4 (0.35) CA2ALDH1A1
Fluoride SCHEMBL6311933 0.83
SCHEMBL3158354 0.81 SMN1; SMN2 (0.35) CA2ALDH1A1
Fluoride SCHEMBL6311825 0.81 CA1 (0.40) CA2
Bromide SCHEMBL6304634 0.80 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951906-B1 Process for hydrogenating a conjugated diene polymer KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-10-04 US claimed
EP-1124863-B1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEM CO LTD (KR) 2004-07-21 EP claimed
EP-1124863-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER Korea Kumho Petrochemical Co. Ltd. (KR) 2001-08-22 EP claimed
WO-2000008069-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2000-02-17 WO claimed
US-6951906-B1 Process for hydrogenating a conjugated diene polymer KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-10-04 US disclosed
EP-1124863-B1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEM CO LTD (KR) 2004-07-21 EP disclosed
EP-1124863-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER Korea Kumho Petrochemical Co. Ltd. (KR) 2001-08-22 EP disclosed
WO-2000008069-A1 PROCESS FOR HYDROGENATING A CONJUGATED DIENE POLYMER KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2000-02-17 WO disclosed