⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93325 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL475684 | 0.70 | — | — | |
| SCHEMBL7178529 | 0.70 | — | — | |
| SCHEMBL875240 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL22694 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL2728355 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL11120275 | 0.69 | — | — | |
| SCHEMBL475956 | 0.68 | — | — | |
| SCHEMBL7156968 | 0.67 | — | — | |
| SCHEMBL2597728 | 0.67 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4554214-A | CROSSLINKED POLYURETHANE-POLYUREA-POLYACRYLIC | SEIKOH CHEMICALS CO., LTD. (JP) | 1985-11-19 | — | — | US | claimed |
| EP-1937287-B1 | MIXTURE OF IRON AND COPPER SALTS MASKING METALLIC TASTE | BAYER CONSUMER CARE AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| US-4554214-A | CROSSLINKED POLYURETHANE-POLYUREA-POLYACRYLIC | SEIKOH CHEMICALS CO., LTD. (JP) | 1985-11-19 | — | — | US | disclosed |