⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4749576 | 0.61 | — | — | |
| SCHEMBL312465 | 0.61 | — | — | |
| SCHEMBL444827 | 0.59 | — | — | |
| SCHEMBL7086432 | 0.58 | GABRP (0.31) | — | |
| SCHEMBL30915787 | 0.57 | — | — | |
| SCHEMBL30196745 | 0.57 | — | — | |
| SCHEMBL19348395 | 0.57 | — | — | |
| SCHEMBL2076907 | 0.56 | — | — | |
| SCHEMBL473740 | 0.56 | — | — | |
| SCHEMBL7492891 | 0.54 | PLG (0.31) | — |
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-3390401-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | Bayer Pharma Aktiengesellschaft (DE) | 2018-10-24 | — | — | EP | claimed |
| WO-2017102649-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | claimed |