⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL469212 | 0.79 | P2RX3 (0.32) | — | |
| SCHEMBL2259697 | 0.79 | P2RX3 (0.32) | — | |
| SCHEMBL18202440 | 0.75 | ESR1 (0.31) | — | |
| SCHEMBL17845770 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL2628916 | 0.73 | APLNR (0.33) | — | |
| SCHEMBL469175 | 0.72 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL24387206 | 0.70 | HTR2A (0.40) | — | |
| SCHEMBL24529294 | 0.70 | PGK1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29750002 | 0.69 | HTR2A (0.39) | — | |
| SCHEMBL17845772 | 0.69 | NPC1 (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-2016095205-A1 | HETEROARYL OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |