⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15203160 | 1.00 | — | — | |
| SCHEMBL13995290 | 1.00 | — | — | |
| SCHEMBL19678630 | 0.77 | — | — | |
| SCHEMBL19688919 | 0.77 | — | — | |
| SCHEMBL13815186 | 0.74 | ANPEP (0.33) | — | |
| SCHEMBL24490416 | 0.73 | — | — | |
| SCHEMBL12797948 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL23662477 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL10246615 | 0.71 | — | — | |
| SCHEMBL23864904 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140243492-A1 | METHOD FOR PRODUCING CONDENSED POLYCYCLIC AROMATIC COMPOUND, AND CONJUGATED POLYMER | MITSUBISHI CHEMICAL CORPORATION (JP) | 2014-08-28 | — | — | US | disclosed |