⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8213679 | 0.65 | — | — | |
| SCHEMBL8014456 | 0.63 | AKR1B1 (0.53) | — | |
| SCHEMBL8014451 | 0.63 | AKR1B1 (0.53) | — | |
| SCHEMBL6437355 | 0.61 | — | — | |
| Ethyne SCHEMBL28686799 | 0.61 | — | — | |
| SCHEMBL66720 | 0.60 | — | — | |
| SCHEMBL11263274 | 0.59 | — | — | |
| SCHEMBL721125 | 0.58 | — | — | |
| SCHEMBL7568579 | 0.58 | — | — | |
| SCHEMBL1332346 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7368549-B2 | Tm leveling compositions | EPOCH BIOSCIENCES, INC. (US) | 2008-05-06 | — | — | US | disclosed |