⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4964846 | 0.89 | — | — | |
| SCHEMBL17318344 | 0.79 | KEAP1 (0.39) | — | |
| SCHEMBL27865730 | 0.75 | KMT2A (0.43) | — | |
| SCHEMBL274307 | 0.74 | LMNA (0.46) | — | |
| SCHEMBL27608977 | 0.72 | CHRM2 (0.42) | — | |
| SCHEMBL18823985 | 0.72 | — | — | |
| SCHEMBL11254631 | 0.71 | CHRM2 (0.41) | — | |
| SCHEMBL28392988 | 0.69 | SLC6A2 (0.36) | — | |
| SCHEMBL2394128 | 0.69 | — | — | |
| SCHEMBL2389506 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0636598-B1 | Preparation process of naphthoquinone derivatives and intermediates for the preparation thereof | EISAI KAGAKU KK (JP) | 1997-04-09 | — | — | EP | disclosed |
| US-5412124-A | Preparation process of naphthoquinone derivative and intermediate for the preparation thereof | EISAI CHEMICAL CO., LTD. (JP) | 1995-05-02 | — | — | US | disclosed |
| EP-0636598-A1 | Preparation process of naphthoquinone derivatives and intermediates for the preparation thereof | EISAI CHEMICAL CO., LTD. (JP) | 1995-02-01 | — | — | EP | disclosed |