⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11472840 | 0.68 | — | — | |
| SCHEMBL2226467 | 0.62 | RAB9A (0.59) | — | |
| SCHEMBL8548510 | 0.61 | GOT1 (0.55) | — | |
| SCHEMBL11023285 | 0.61 | AURKA (0.41) | — | |
| SCHEMBL1996992 | 0.61 | F2 (0.50) | — | |
| SCHEMBL19173050 | 0.61 | PTGS1 (0.47) | — | |
| SCHEMBL8008542 | 0.61 | MEN1 (0.31) | — | |
| SCHEMBL7262015 | 0.61 | — | — | |
| SCHEMBL3988243 | 0.61 | — | — | |
| SCHEMBL10310328 | 0.61 | CHRNB2 (0.43) | — |
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-1201661-A1 | HETEROAROMATIC RING COMPOUNDS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2002-05-02 | — | — | EP | disclosed |