⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5259200 | 0.91 | CYP1A2 (0.48) | — | |
| SCHEMBL1524679 | 0.89 | CYP1A2 (0.52) | — | |
| SCHEMBL9207671 | 0.86 | KMT2A (0.37) | — | |
| SCHEMBL491261 | 0.84 | — | — | |
| SCHEMBL1524844 | 0.84 | CYP1A2 (0.46) | — | |
| SCHEMBL9213021 | 0.82 | CYP1A2 (0.45) | — | |
| SCHEMBL62543 | 0.82 | THRA (0.36) | — | |
| SCHEMBL9210732 | 0.81 | CYP1A2 (0.48) | — | |
| SCHEMBL9211184 | 0.81 | CYP1A2 (0.48) | — | |
| SCHEMBL61446 | 0.79 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11787821-B2 | Catalyst and process for ring opening polymerization | BROWN UNIVERSITY (US) | 2023-10-17 | — | — | US | disclosed |
| US-20210188878-A1 | CATALYST AND PROCESS FOR RING OPENING POLYMERIZATION | BROWN UNIVERSITY | 2021-06-24 | — | — | US | disclosed |
| US-20090197868-A1 | 5ht2c receptor modulator compositions and methods of use | ARENA PHARMACEUTICALS, INC. | 2009-08-06 | — | — | US | disclosed |