⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10590085 | 1.00 | — | — | |
| SCHEMBL11616619 | 0.73 | — | — | |
| SCHEMBL15866580 | 0.73 | — | — | |
| SCHEMBL28882647 | 0.73 | — | — | |
| SCHEMBL11616621 | 0.73 | — | — | |
| SCHEMBL14346050 | 0.73 | — | — | |
| SCHEMBL24014115 | 0.71 | — | — | |
| SCHEMBL17936889 | 0.71 | — | — | |
| SCHEMBL8988498 | 0.70 | — | — | |
| SCHEMBL23982875 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59048451-A | — | — | None | — | — | JP | disclosed |
| US-20110207783-A1 | RENIN INHIBITORS | MERCK CANADA INC. (CA) | 2011-08-25 | — | — | US | disclosed |
| JP-S5948451-A | PREPARATION OF AMINOMETHYLENECYANOACETALDEHYDES | UBE IND LTD | 1984-03-19 | — | — | JP | disclosed |