⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9980058 | 0.80 | — | — | |
| SCHEMBL9976825 | 0.76 | — | — | |
| SCHEMBL17750728 | 0.74 | — | — | |
| SCHEMBL9980072 | 0.66 | — | — | |
| SCHEMBL9976822 | 0.64 | CYP11B1 (0.36) | — | |
| SCHEMBL14873512 | 0.61 | — | — | |
| SCHEMBL12071038 | 0.61 | — | — | |
| SCHEMBL14870709 | 0.61 | — | — | |
| SCHEMBL9976826 | 0.60 | HPSE (0.31) | — | |
| SCHEMBL14873513 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8680296-B2 | Leaving substituent-containing compound, products produced using the same, and methods for producing the products | RICOH COMPANY, LTD. (JP) | 2014-03-25 | — | — | US | disclosed |