⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6541679 | 0.80 | CA1 (0.38) | — | |
| SCHEMBL29253586 | 0.80 | — | — | |
| SCHEMBL4271010 | 0.78 | — | — | |
| SCHEMBL5990466 | 0.76 | METAP2 (0.49) | — | |
| SCHEMBL18685133 | 0.73 | ACHE (0.47) | — | |
| SCHEMBL2445492 | 0.72 | DCUN1D1 (0.32) | — | |
| SCHEMBL1570421 | 0.72 | — | — | |
| SCHEMBL2372581 | 0.72 | APP (0.47) | — | |
| SCHEMBL3540005 | 0.71 | HTR7 (0.42) | — | |
| SCHEMBL3722110 | 0.71 | ROCK2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |