⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8260786 | 0.72 | — | — | |
| SCHEMBL24099786 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL19629446 | 0.72 | — | — | |
| SCHEMBL28321775 | 0.69 | — | — | |
| SCHEMBL132924 | 0.64 | — | — | |
| SCHEMBL9276 | 0.64 | — | — | |
| SCHEMBL23839331 | 0.62 | ALDH1A1 (0.75) | — | |
| SCHEMBL2131209 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL9350570 | 0.61 | ALDH1A1 (0.56) | — | |
| SCHEMBL56558 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015586-A2 | 2,3,4,7-TETRAHYDRO-INDOLO[2,3-C]QUINOLINE COMPOUNDS | NYCOMED GMBH (DE) | 2010-02-11 | — | — | WO | disclosed |