⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27361331 | 0.76 | — | — | |
| SCHEMBL9247818 | 0.76 | — | — | |
| SCHEMBL6627512 | 0.74 | — | — | |
| SCHEMBL25038761 | 0.74 | — | — | |
| SCHEMBL25164806 | 0.72 | — | — | |
| SCHEMBL24477575 | 0.72 | — | — | |
| SCHEMBL28823925 | 0.70 | MAPT (0.38) | — | |
| SCHEMBL28902066 | 0.70 | MAPT (0.38) | — | |
| SCHEMBL28823927 | 0.70 | MAPT (0.38) | — | |
| SCHEMBL28484668 | 0.70 | MAPT (0.38) | — |
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-2014176144-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-10-30 | — | — | WO | disclosed |