⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10310413 | 0.84 | — | — | |
| SCHEMBL12941661 | 0.83 | — | — | |
| SCHEMBL10310423 | 0.78 | — | — | |
| SCHEMBL10310418 | 0.77 | — | — | |
| SCHEMBL10310410 | 0.75 | PRKDC (0.33) | — | |
| SCHEMBL12941663 | 0.67 | — | — | |
| SCHEMBL10310392 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL10310408 | 0.60 | PRKDC (0.34) | — | |
| SCHEMBL10310403 | 0.54 | APOBEC3A (0.38) | — | |
| SCHEMBL647198 | 0.51 | GAA (0.43) | — |
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-20120178829-A1 | BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION | BASF SE (DE) | 2012-07-12 | — | — | US | disclosed |
| US-20120178829-A1 | BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION | BASF SE (DE) | 2012-07-12 | — | — | US | disclosed |