⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17540091 | 0.77 | THRA (0.31) | — | |
| SCHEMBL9712756 | 0.77 | — | — | |
| SCHEMBL7909328 | 0.72 | — | — | |
| SCHEMBL16411409 | 0.69 | NOS3 (0.30) | — | |
| SCHEMBL22838192 | 0.68 | CYP2D6 (0.33) | — | |
| SCHEMBL16411674 | 0.67 | — | — | |
| SCHEMBL12166822 | 0.67 | — | — | |
| SCHEMBL13475146 | 0.66 | — | — | |
| SCHEMBL20306987 | 0.66 | — | — | |
| SCHEMBL20776405 | 0.64 | CA1 (0.31) | — |
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-20220031847-A1 | THERAPEUTIC METHODS | GENEVANT SCIENCES GMBH (CH) | 2022-02-03 | — | — | US | disclosed |