Bromide

Bromide

SCHEMBL6311963

Br.Br.COc1cc(C(C)(C)C)c(O[Ti]C2=CC=CC2)c(C(C)(C)C)c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
Iodide SCHEMBL6307736 0.97 CA1 (0.40) CA1CA2
Hydrochloric Acid SCHEMBL6306106 0.97 CA1 (0.40) CA1CA2
Hydrochloric Acid SCHEMBL6664172 0.97 CA1 (0.40) CA1CA2
Fluoride SCHEMBL6311825 0.97 CA1 (0.40) CA1CA2
Bromide SCHEMBL6304581 0.85
Bromide SCHEMBL3147472 0.85 SMN1; SMN2 (0.34) CA2
SCHEMBL3158354 0.84 SMN1; SMN2 (0.35) CA2
Fluoride SCHEMBL6312234 0.82 CYP3A4 (0.35) CA2
Hydrochloric Acid SCHEMBL3154716 0.82 SMN1; SMN2 (0.34) CA2
Fluoride SCHEMBL6311933 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 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