⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19592409 | 0.75 | — | — | |
| SCHEMBL10084551 | 0.69 | — | — | |
| SCHEMBL773461 | 0.69 | — | — | |
| SCHEMBL23270082 | 0.67 | — | — | |
| SCHEMBL12828318 | 0.67 | — | — | |
| SCHEMBL14422252 | 0.67 | — | — | |
| SCHEMBL2154404 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL25541671 | 0.63 | CYP1A2 (0.36) | — | |
| SCHEMBL3413093 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL17445674 | 0.62 | NPC1 (0.30) | — |
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-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| US-20170152246-A1 | Protein Kinase C Inhibitors and Uses Thereof | MIDCAP FINANCIAL TRUST | 2017-06-01 | — | — | US | disclosed |