Bromide

Bromide

SCHEMBL9853476

C=C[n+]1ccccc1CC.[Br-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
HDAC8 Q9BY41 1/20 0.35
TP53 P04637 1/20 0.34

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 SCHEMBL29098366 0.96 HDAC8 (0.35) HDAC8TP53
Iodide SCHEMBL11385773 0.96 HDAC8 (0.35) HDAC8TP53
Bromide SCHEMBL6834383 0.82 KCNH2 (0.41) HDAC8
Iodide SCHEMBL11395802 0.81 HDAC8 (0.33) HDAC8
SCHEMBL6533529 0.78 KCNH2 (0.49)
Iodide SCHEMBL11381499 0.78 KCNH2 (0.41) HDAC8
SCHEMBL362206 0.78 HDAC8 (0.32) HDAC8
SCHEMBL3661655 0.74 CALM1 (0.41) HDAC8TP53
Hydrochloric Acid SCHEMBL5688232 0.73 CALM1 (0.39) TP53
Bromide SCHEMBL2494675 0.72 NPC1 (0.41) HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4276362-A CHARGE TRANSFER COMPLEX CATALYST RESEARCH CORPORATION (US) 1981-06-30 US claimed
EP-0424703-A2 Optical sensor OLYMPUS OPTICAL CO., LTD. (JP) 1991-05-02 EP disclosed