⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12111894 | 0.74 | — | — | |
| SCHEMBL11513663 | 0.73 | NPC1 (0.55) | — | |
| SCHEMBL76905 | 0.73 | — | — | |
| SCHEMBL23075084 | 0.72 | — | — | |
| SCHEMBL9089789 | 0.72 | — | — | |
| SCHEMBL17198678 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL974759 | 0.68 | ALDH1A1 (0.69) | — | |
| SCHEMBL2004713 | 0.68 | ALDH1A1 (0.59) | — | |
| SCHEMBL11376315 | 0.68 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL11337639 | 0.67 | KMT2A (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017093543-A2 | ANTI-BACTERIAL COMPOUNDS | AUSPHERIX LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |
| US-7906540-B2 | Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections | ROCHE PALO ALTO LLC (US) | 2011-03-15 | — | — | US | disclosed |
| US-20080249151-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-10-09 | — | — | US | disclosed |