⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28829648 | 0.97 | HIF1A (0.33) | — | |
| Piperazine SCHEMBL4465186 | 0.97 | HIF1A (0.33) | — | |
| Piperazine SCHEMBL23932515 | 0.95 | HIF1A (0.32) | — | |
| Piperazine SCHEMBL27740510 | 0.95 | HIF1A (0.32) | — | |
| Piperazine SCHEMBL28222398 | 0.92 | HIF1A (0.30) | — | |
| SCHEMBL28194594 | 0.91 | — | — | |
| Piperidine SCHEMBL23725007 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL15544478 | 0.87 | — | — | |
| SCHEMBL30349526 | 0.87 | — | — | |
| SCHEMBL15545054 | 0.87 | — | — |
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-3194964-A1 | MULTIFUNCTIONAL PROTEIN MOLECULAR WEIGHT LADDERS | LI-COR, INC. (US) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016044619-A1 | MULTIFUNCTIONAL PROTEIN MOLECULAR WEIGHT LADDERS | LI-COR, INC. (US) | 2016-03-24 | — | — | WO | disclosed |