⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2331805 | 0.77 | — | — | |
| SCHEMBL6440802 | 0.76 | — | — | |
| SCHEMBL6439905 | 0.73 | — | — | |
| SCHEMBL1614523 | 0.69 | NFKB1 (0.39) | — | |
| SCHEMBL31022987 | 0.64 | — | — | |
| SCHEMBL19385803 | 0.62 | — | — | |
| SCHEMBL1006027 | 0.62 | — | — | |
| SCHEMBL30109360 | 0.60 | — | — | |
| Water SCHEMBL28936012 | 0.60 | — | — | |
| SCHEMBL3201272 | 0.59 | MAPT (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4270294-A | — | — | None | — | — | JP | disclosed |
| EP-0501426-B1 | Alpha-methylenecyclopentanone derivative and process for producing the same | NISSAN CHEMICAL IND LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| JP-H04270294-A | ALPHA-METHYLENECYCLOPENTANONE DERIVATIVE AND ITS PRODUCTION | SATOU FUMIE | 1992-09-25 | — | — | JP | disclosed |
| EP-0501426-A1 | Alpha-methylenecyclopentanone derivative and process for producing the same | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-09-02 | — | — | EP | disclosed |