⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL463213 | 0.75 | ALDH1A1 (0.36) | — | |
| Phosphoric Acid SCHEMBL27329979 | 0.69 | CA2 (0.40) | — | |
| Phosphoric Acid SCHEMBL5912502 | 0.68 | — | — | |
| Phosphoric Acid SCHEMBL22235268 | 0.68 | CA2 (0.46) | — | |
| SCHEMBL14620127 | 0.67 | MMP2 (0.33) | — | |
| Phosphoric Acid SCHEMBL28817936 | 0.65 | CA2 (0.43) | — | |
| SCHEMBL335788 | 0.65 | — | — | |
| SCHEMBL625851 | 0.62 | — | — | |
| SCHEMBL10409288 | 0.62 | — | — | |
| Phosphoric Acid SCHEMBL28615528 | 0.62 | — | — |
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-3638840-A1 | COMPOSITION AND USE THEREOF FOR FINISHING FIBRES AND TEXTILES | Rudolf GmbH (DE) | 2020-04-22 | — | — | EP | disclosed |