⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22220175 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8740598 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL250898 | 0.67 | — | — | |
| SCHEMBL30530530 | 0.65 | — | — | |
| SCHEMBL483875 | 0.65 | — | — | |
| SCHEMBL13105332 | 0.65 | — | — | |
| SCHEMBL840800 | 0.63 | — | — | |
| SCHEMBL8250470 | 0.63 | — | — | |
| Water SCHEMBL28177570 | 0.63 | — | — | |
| SCHEMBL11674193 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2094660-A2 | IMMUNOCHEMICALLY EQUIVALENT HIV DRUG ANALOGS | Roche Diagnostics GmbH (DE) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008052737-A2 | IMMUNOCHEMICALLY EQUIVALENT HIV DRUG ANALOGS | ROCHE DIAGNOSTICS GMBH (DE) | 2008-05-08 | — | — | WO | disclosed |