⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL8660758 | 0.78 | — | — | |
| Carbon Monoxide SCHEMBL1450072 | 0.78 | — | — | |
| Carbon Monoxide SCHEMBL1450123 | 0.78 | — | — | |
| Carbon Monoxide SCHEMBL9158310 | 0.77 | — | — | |
| SCHEMBL9149166 | 0.70 | — | — | |
| SCHEMBL6659938 | 0.69 | — | — | |
| Benzene SCHEMBL31091106 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL11707018 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL143876 | 0.66 | ALDH1A1 (0.50) | — | |
| Bromide SCHEMBL3003272 | 0.65 | — | — |
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 |