⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11907935 | 0.86 | CYP3A4 (0.34) | — | |
| SCHEMBL7634769 | 0.84 | CYP3A4 (0.39) | — | |
| SCHEMBL18250798 | 0.84 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7634088 | 0.80 | CYP3A4 (0.39) | — | |
| SCHEMBL16579313 | 0.79 | P2RY14 (0.32) | — | |
| SCHEMBL10158994 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL27753601 | 0.78 | CYP3A4 (0.37) | — | |
| SCHEMBL733409 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL11237347 | 0.76 | — | — | |
| SCHEMBL12568390 | 0.76 | CYP3A4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8927513-B2 | 5′ phosphate mimics | ALNYLAM PHARMACEUTICALS, INC. (US) | 2015-01-06 | — | — | US | disclosed |
| US-20120157511-A1 | 5' PHOSPHATE MIMICS | ALNYLAM PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | US | disclosed |