⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10493562 | 0.74 | — | — | |
| SCHEMBL8667227 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL10493619 | 0.70 | — | — | |
| SCHEMBL8076493 | 0.69 | — | — | |
| SCHEMBL8076492 | 0.69 | — | — | |
| SCHEMBL5133062 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2143209 | 0.67 | — | — | |
| SCHEMBL2359080 | 0.64 | FAAH (0.44) | — | |
| SCHEMBL176307 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL28949554 | 0.62 | — | — |
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-20060128692-A1 | Non nucleoside reverse transcriptase inhibitors | GILEAD SCIENCES, INC (US) | 2006-06-15 | — | — | US | disclosed |