Bromide

Bromide

SCHEMBL28633922

C=CC(=O)OCC[N+](C)(C)CCCCCCCCCC.[Br-]

nearest known ligand 0.59

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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.41
CHRM1 known ✓ P11229 1/20 0.41
CHRM3 known ✓ P20309 1/20 0.41
TSHR P16473 6/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
DNM1 Q05193 7/20 0.48
HTT P42858 2/20 0.47
HIF1A Q16665 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
TP53 P04637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41

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 SCHEMBL29140475 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL29140481 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL29140476 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL29140477 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL28635420 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL8196037 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL1867369 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL3630565 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL29140485 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1
Bromide SCHEMBL27096505 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480427-B Method for producing low-chroma high-concentration lactic acid by comprehensively utilizing straws 上海汉禾生物新材料科技有限公司 2022-06-03 CN claimed
CN-113480427-A Method for producing low-chroma high-concentration lactic acid by comprehensively utilizing straws 上海汉禾生物新材料科技有限公司 2021-10-08 CN claimed
CN-113480427-B Method for producing low-chroma high-concentration lactic acid by comprehensively utilizing straws 上海汉禾生物新材料科技有限公司 2022-06-03 CN disclosed
CN-113480427-A Method for producing low-chroma high-concentration lactic acid by comprehensively utilizing straws 上海汉禾生物新材料科技有限公司 2021-10-08 CN disclosed