⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1415838 | 0.85 | — | — | |
| SCHEMBL2703659 | 0.77 | — | — | |
| SCHEMBL8995307 | 0.73 | SLC22A6 (0.50) | — | |
| SCHEMBL9318305 | 0.70 | — | — | |
| SCHEMBL9270649 | 0.70 | — | — | |
| SCHEMBL13575099 | 0.70 | — | — | |
| SCHEMBL11216963 | 0.68 | — | — | |
| SCHEMBL11272597 | 0.67 | NAAA (0.41) | — | |
| SCHEMBL1417527 | 0.67 | — | — | |
| SCHEMBL2161618 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9290617-B2 | Method of biomolecule immobilization on polymers using click-type chemistry | Shoichet, Molly S. (CA) | 2016-03-22 | — | — | US | disclosed |