Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL28692201

Br.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.61

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 11)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 9/20 0.61
▸ RXRA P19793 8/20 0.61
▸ KIF11 P52732 1/20 0.53
▸ RXRG P48443 4/20 0.52
▸ DHODH Q02127 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ PTPN1 P18031 3/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ ASIC1 P78348 1/20 0.40
▸ KMO O15229 1/20 0.39

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
SCHEMBL30096028 0.94 RXRB (0.57) RXRBRXRAKIF11RXRGDHODH
SCHEMBL26149393 0.91 RXRB (0.53) RXRBRXRAKIF11RXRGDHODH
SCHEMBL11646120 0.91 RXRB (0.59) RXRBRXRAKIF11RXRGCNR1
SCHEMBL5546207 0.91 RXRB (0.53) RXRBRXRAKIF11RXRGDHODH
SCHEMBL25911308 0.91 RXRB (0.63) RXRBRXRAKIF11RXRGDHODH
SCHEMBL27757672 0.89 RXRB (0.62) RXRBRXRAKIF11RXRGDHODH
Bromide SCHEMBL28371865 0.89 RXRB (0.50) RXRBRXRAKIF11RXRGDHODH
SCHEMBL25522328 0.88 RXRB (0.56) RXRBRXRAKIF11RXRGDHODH
SCHEMBL25693197 0.87 KIF11 (0.68) RXRBRXRAKIF11RXRGDHODH
SCHEMBL23959705 0.86 RXRB (0.55) RXRBRXRAKIF11RXRGDHODH

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
CN-110809586-B Biaryl phenoxy group IV transition metal catalysts for olefin polymerization 陶氏环球技术有限责任公司 2023-06-27 — — CN disclosed
CN-113348186-A Biaryl hydroxy thiophene IV group transition metal polymerization catalyst with chain transfer capability 陶氏环球技术有限责任公司 2021-09-03 — — CN disclosed