⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7201437 | 0.83 | CYP2D6 (0.38) | — | |
| SCHEMBL7201976 | 0.75 | HSD11B1 (0.32) | — | |
| SCHEMBL717501 | 0.72 | HSD11B1 (0.33) | — | |
| SCHEMBL5318549 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL7201981 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL1193589 | 0.66 | HSD11B1 (0.37) | — | |
| SCHEMBL11613246 | 0.65 | CYP2D6 (0.33) | — | |
| SCHEMBL4251161 | 0.64 | CYP2D6 (0.32) | — | |
| SCHEMBL6864997 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL9664338 | 0.64 | CYP2D6 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001233834-A | 2-ALKYL-2-ADAMANTHYL-5-NORBORNENE-2-CARBOXYLATE AND METHOD FOR PRODUCING THE SAME | CHEM SEARCH CORP | 2001-08-28 | — | — | JP | disclosed |