⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15329974 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL29952149 | 0.74 | S100A4 (0.32) | — | |
| SCHEMBL2562289 | 0.64 | — | — | |
| SCHEMBL2554006 | 0.62 | — | — | |
| SCHEMBL22026599 | 0.60 | CCR1 (0.45) | — | |
| SCHEMBL21199346 | 0.60 | MGLL (0.39) | — | |
| SCHEMBL16576677 | 0.60 | ESR1 (0.31) | — | |
| SCHEMBL29954944 | 0.60 | NPC1 (0.33) | — | |
| SCHEMBL1581323 | 0.60 | KCNH2 (0.39) | — | |
| SCHEMBL2557968 | 0.59 | ALDH1A1 (0.36) | — |
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-2558577-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | Nuevolution A/S (DK) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011127933-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2011-10-20 | — | — | WO | disclosed |