⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12744701 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL11451351 | 0.71 | — | — | |
| SCHEMBL11451352 | 0.71 | — | — | |
| SCHEMBL10066993 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL17298671 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL13657949 | 0.67 | — | — | |
| SCHEMBL241578 | 0.65 | — | — | |
| SCHEMBL241577 | 0.65 | — | — | |
| SCHEMBL2354321 | 0.65 | — | — | |
| SCHEMBL3987451 | 0.65 | — | — |
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-9198974-B2 | Decorated macromolecular scaffolds | MINTAKA FOUNDATION FOR MEDICAL RESEARCH (CH) | 2015-12-01 | — | — | US | disclosed |
| US-20140221569-A1 | DECORATED MACROMOLECULAR SCAFFOLDS | ORION BIOTECHNOLOGY HOLDING SA (CH) | 2014-08-07 | — | — | US | disclosed |