⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18594686 | 0.77 | MGLL (0.36) | — | |
| SCHEMBL21019700 | 0.73 | MGLL (0.42) | — | |
| SCHEMBL18594671 | 0.73 | GSK3A (0.32) | — | |
| SCHEMBL20420335 | 0.69 | — | — | |
| SCHEMBL12936649 | 0.69 | — | — | |
| SCHEMBL20132050 | 0.63 | MGLL (0.39) | — | |
| SCHEMBL20132373 | 0.63 | MGLL (0.46) | — | |
| SCHEMBL22223456 | 0.63 | DDAH1 (0.35) | — | |
| SCHEMBL716487 | 0.62 | — | — | |
| SCHEMBL157324 | 0.60 | MGLL (0.50) | — |
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-20170218085-A1 | SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY | NOVARTIS AG (CH) | 2017-08-03 | — | — | US | disclosed |
| US-9585970-B2 | Site-specific labeling methods and molecules produced thereby | NOVARTIS AG (CH) | 2017-03-07 | — | — | US | disclosed |