⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4557645 | 0.81 | FDPS (0.44) | — | |
| SCHEMBL3079946 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL1502473 | 0.69 | — | — | |
| SCHEMBL27852317 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10613713 | 0.67 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL19942 | 0.66 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL27955495 | 0.66 | FDPS (0.50) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL29045003 | 0.65 | FDPS (0.41) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL25407716 | 0.63 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL11334053 | 0.63 | FDPS (0.47) | — |
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-1274443-B1 | MICELLES | EISAI R&D MAN CO LTD (JP) | 2017-05-10 | — | — | EP | disclosed |