⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8399233 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL9617885 | 0.78 | CYP2D6 (0.45) | — | |
| SCHEMBL11466259 | 0.77 | — | — | |
| SCHEMBL328134 | 0.75 | USP2 (0.43) | — | |
| SCHEMBL14285857 | 0.75 | USP2 (0.50) | — | |
| Potassium SCHEMBL31652342 | 0.75 | USP2 (0.50) | — | |
| SCHEMBL5372259 | 0.75 | — | — | |
| SCHEMBL29141464 | 0.73 | SLC1A1 (0.33) | — | |
| SCHEMBL11457543 | 0.73 | — | — | |
| SCHEMBL9507573 | 0.73 | — | — |
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-20240024330-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-01-25 | — | — | US | disclosed |
| US-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |