⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22686142 | 0.75 | — | — | |
| SCHEMBL87566 | 0.71 | — | — | |
| SCHEMBL3138603 | 0.71 | — | — | |
| SCHEMBL11129054 | 0.66 | — | — | |
| SCHEMBL11136797 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL7480073 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL27309691 | 0.60 | CHRNB2 (0.31) | — | |
| SCHEMBL16319261 | 0.59 | — | — | |
| SCHEMBL2306569 | 0.59 | — | — | |
| SCHEMBL2731086 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | disclosed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | disclosed |