⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2241169 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL2356347 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL901386 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL7325221 | 0.66 | — | — | |
| SCHEMBL7401293 | 0.66 | — | — | |
| SCHEMBL3855051 | 0.60 | MAPT (0.32) | — | |
| SCHEMBL1964176 | 0.59 | TLR4 (0.48) | — | |
| SCHEMBL14694072 | 0.59 | KDM1A (0.44) | — | |
| SCHEMBL10258695 | 0.59 | KDM1A (0.44) | — | |
| SCHEMBL17633061 | 0.59 | MAPT (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3118389-A | — | — | None | — | — | JP | disclosed |
| JP-H03118389-A | 11-DEPXYDAUNOMYCIN SUBSTITUTED AROMATIC HETEROCYCLE FOR D RING | KITA YASUYUKI | 1991-05-20 | — | — | JP | disclosed |