⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7656436 | 0.59 | — | — | |
| SCHEMBL2497301 | 0.52 | — | — | |
| SCHEMBL12601793 | 0.52 | — | — | |
| SCHEMBL4786313 | 0.52 | — | — | |
| SCHEMBL8988872 | 0.52 | — | — | |
| SCHEMBL12154070 | 0.52 | — | — | |
| SCHEMBL13651618 | 0.48 | — | — | |
| SCHEMBL7849746 | 0.48 | — | — | |
| SCHEMBL19223279 | 0.47 | — | — | |
| SCHEMBL10659032 | 0.47 | — | — |
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-2008005670-A2 | ONE-POT CONDENSATION REDUCTION METHODS FOR PREPARING SUBSTITUTED ALLYLIC ALCOHOLS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-10 | — | — | WO | disclosed |