⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24881427 | 0.87 | MAP3K14 (0.32) | — | |
| SCHEMBL23364874 | 0.87 | MAP3K14 (0.32) | — | |
| SCHEMBL23364877 | 0.87 | MAP3K14 (0.32) | — | |
| SCHEMBL23364932 | 0.79 | NR3C1 (0.34) | — | |
| SCHEMBL23364936 | 0.79 | NR3C1 (0.34) | — | |
| SCHEMBL25100755 | 0.79 | NR3C1 (0.34) | — | |
| SCHEMBL25030489 | 0.77 | GRIN2D (0.33) | — | |
| SCHEMBL23364873 | 0.72 | MAP3K14 (0.38) | — | |
| SCHEMBL21334000 | 0.72 | MAP3K14 (0.32) | — | |
| SCHEMBL21349674 | 0.72 | MAP3K14 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230002426-A1 | CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL | RECURIUM IP HOLDINGS, LLC | 2023-01-05 | — | — | US | disclosed |