⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8029850 | 0.81 | CYP2C19 (0.42) | — | |
| SCHEMBL6544597 | 0.74 | CYP2C19 (0.38) | — | |
| SCHEMBL14518177 | 0.71 | — | — | |
| SCHEMBL90415 | 0.69 | — | — | |
| SCHEMBL5162929 | 0.69 | — | — | |
| SCHEMBL2353387 | 0.69 | — | — | |
| SCHEMBL12799904 | 0.69 | — | — | |
| SCHEMBL14518175 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL14518174 | 0.67 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL16412132 | 0.67 | — | — |
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-8063064-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| US-20110059975-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | KENNEDY-SMITH JOSHUA | 2011-03-10 | — | — | US | disclosed |