⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9455031 | 0.76 | — | — | |
| SCHEMBL12002145 | 0.74 | CHRM2 (0.34) | — | |
| SCHEMBL21781859 | 0.73 | GRIN2D (0.38) | — | |
| SCHEMBL27263099 | 0.73 | CYP2D6 (0.38) | — | |
| SCHEMBL6070653 | 0.72 | GAA (0.40) | — | |
| SCHEMBL1929705 | 0.71 | — | — | |
| SCHEMBL1928735 | 0.71 | — | — | |
| SCHEMBL16148424 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL18262118 | 0.69 | — | — | |
| SCHEMBL1929633 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |