⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8157730 | 1.00 | — | — | |
| SCHEMBL222199 | 0.80 | — | — | |
| SCHEMBL2348739 | 0.75 | — | — | |
| SCHEMBL29363347 | 0.75 | — | — | |
| SCHEMBL7048025 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL28319758 | 0.72 | CYP1A2 (0.43) | — | |
| Formaldehyde SCHEMBL27752254 | 0.72 | CYP1A2 (0.43) | — | |
| SCHEMBL97529 | 0.72 | — | — | |
| SCHEMBL943523 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL97022 | 0.71 | — | — |
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-6133468-A | BROMINATION OF SUBSTITUTED TOLUENES WITH A BROMINATING AGENT SELECTED FROM THE GROUP CONSISTING OF BROMINE, BROMINE SALTS AND HYDROGEN BROMIDE, IN THE PRESENCE OF AN AZO CARBONITRILE OR OF AN AZO CARBOXYLIC ESTER | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | disclosed |