⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3003757 | 1.00 | — | — | |
| SCHEMBL2998095 | 0.99 | — | — | |
| SCHEMBL2998015 | 0.96 | — | — | |
| SCHEMBL2999725 | 0.93 | — | — | |
| SCHEMBL1304633 | 0.73 | CYP3A4 (0.40) | — | |
| SCHEMBL3700202 | 0.73 | CTSD (0.31) | — | |
| SCHEMBL3001866 | 0.72 | ESR1 (0.38) | — | |
| SCHEMBL197084 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL3002779 | 0.67 | — | — | |
| SCHEMBL5394695 | 0.66 | DNM1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100197938-A1 | Process for producing indole compoud | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-08-05 | — | — | US | disclosed |
| US-20070083053-A1 | Process for producing indole compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2007-04-12 | — | — | US | disclosed |