⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28135914 | 0.77 | — | — | |
| SCHEMBL27997513 | 0.72 | SOS1 (0.31) | — | |
| SCHEMBL5003102 | 0.68 | — | — | |
| Piperazine SCHEMBL28114722 | 0.63 | HIF1A (0.35) | — | |
| SCHEMBL17085839 | 0.61 | HIF1A (0.33) | — | |
| SCHEMBL24380 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL28779669 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL7468053 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL17652472 | 0.55 | — | — | |
| SCHEMBL21936163 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0955044-A2 | Method of inhibiting bacterial or fungal growth using a complexing agent | CONCAT LTD. (US) | 1999-11-10 | — | — | EP | disclosed |