⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240851 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL127724 | 0.85 | — | — | |
| SCHEMBL5444346 | 0.85 | — | — | |
| SCHEMBL342675 | 0.85 | — | — | |
| Methylamine SCHEMBL28158863 | 0.79 | — | — | |
| SCHEMBL681342 | 0.77 | NOS3 (0.32) | — | |
| SCHEMBL15842183 | 0.77 | TP53 (0.35) | — | |
| SCHEMBL8338040 | 0.77 | ROCK2 (0.32) | — | |
| SCHEMBL19924589 | 0.77 | ROCK2 (0.32) | — | |
| SCHEMBL16238305 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2471774-A1 | Piperidinyl derivatives as modulators of chemokine receptor activity | Bristol-Myers Squibb Company (US) | 2012-07-04 | — | — | EP | disclosed |