⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21675776 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL19311682 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL20220230 | 0.67 | GPR3 (0.32) | — | |
| SCHEMBL25606228 | 0.67 | CYP3A4 (0.35) | — | |
| SCHEMBL261036 | 0.65 | ACHE (0.42) | — | |
| SCHEMBL23804111 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL8942155 | 0.62 | — | — | |
| Bromide SCHEMBL28950320 | 0.62 | — | — | |
| SCHEMBL10147311 | 0.62 | ACHE (0.40) | — | |
| SCHEMBL31727453 | 0.61 | HDAC1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183154-A1 | PROCESS FOR THE PREPARATION OF 1-BROMO-2,4,5-TRIFLUOROBENZENE | AARTI INDUSTRIES LIMITED (IN) | 2023-06-15 | — | — | US | disclosed |