⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28065316 | 0.80 | — | — | |
| SCHEMBL27903597 | 0.76 | — | — | |
| SCHEMBL2789027 | 0.74 | — | — | |
| SCHEMBL27459490 | 0.71 | P2RX4 (0.40) | — | |
| SCHEMBL6044400 | 0.69 | — | — | |
| SCHEMBL27586606 | 0.66 | BCHE (0.42) | — | |
| SCHEMBL27319997 | 0.64 | — | — | |
| SCHEMBL27704295 | 0.61 | — | — | |
| SCHEMBL14384161 | 0.48 | — | — | |
| SCHEMBL9801980 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459568-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Limited (CA) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011011872-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-02-03 | — | — | WO | disclosed |