⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5551395 | 1.00 | — | — | |
| SCHEMBL1421603 | 0.67 | — | — | |
| SCHEMBL22168563 | 0.67 | — | — | |
| Acetaldehyde SCHEMBL17598962 | 0.57 | TSHR (0.60) | — | |
| Acetaldehyde SCHEMBL22264129 | 0.55 | — | — | |
| Acetaldehyde SCHEMBL825237 | 0.55 | — | — | |
| SCHEMBL6120077 | 0.55 | — | — | |
| Acetaldehyde SCHEMBL20411618 | 0.53 | — | — | |
| Acetaldehyde SCHEMBL1331732 | 0.53 | — | — | |
| Acetaldehyde SCHEMBL1330497 | 0.53 | — | — |
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-1487772-A2 | CYCLOPENTENONE DERIVATIVES, THEIR PREPARATION AND USE IN MEDICINE | Charterhouse Therapeutics Ltd. (GB) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003080552-A2 | CYCLOPENTENONE DERIVATIVES, THEIR PREPARATION AND USE IN MEDECIME | CHARTERHOUSE THERAPEUTICS LTD (GB) | 2003-10-02 | — | — | WO | disclosed |