⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1732068 | 0.97 | — | — | |
| SCHEMBL1732421 | 0.90 | — | — | |
| SCHEMBL3291365 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL15100557 | 0.87 | GLA (0.31) | — | |
| SCHEMBL3953932 | 0.86 | PKM (0.41) | — | |
| SCHEMBL1733193 | 0.84 | DGAT1 (0.31) | — | |
| SCHEMBL14594000 | 0.81 | PKM (0.38) | — | |
| SCHEMBL1592333 | 0.80 | NAAA (0.33) | — | |
| SCHEMBL23963193 | 0.80 | — | — | |
| SCHEMBL21360917 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915077-B1 | POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | DAICEL CHEM (JP) | 2004-11-17 | — | — | EP | disclosed |
| US-6235851-B1 | ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0915077-A1 | POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | Daicel Chemical Industries, Ltd. (JP) | 1999-05-12 | — | — | EP | disclosed |