⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5212218 | 0.56 | — | — | |
| SCHEMBL22730587 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL19642600 | 0.42 | — | — | |
| SCHEMBL29441862 | 0.35 | — | — | |
| SCHEMBL24617 | 0.35 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.34 | ALDH1A1 (0.50) | — | |
| Calcium Bromide SCHEMBL30888723 | 0.34 | — | — | |
| Calcium Bromide SCHEMBL20474462 | 0.31 | — | — | |
| SCHEMBL1060750 | 0.29 | — | — | |
| Methane SCHEMBL23044967 | 0.25 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101778651-A | Heterocyclic compounds for the treatment of tuberculosis | GLAXO GROUP LTD | 2010-07-14 | — | — | CN | disclosed |