⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10896628 | 0.77 | MMP8 (0.32) | — | |
| SCHEMBL11296279 | 0.75 | — | — | |
| SCHEMBL11506648 | 0.71 | — | — | |
| SCHEMBL11381525 | 0.67 | MMP8 (0.32) | — | |
| SCHEMBL5164952 | 0.67 | MMP8 (0.32) | — | |
| SCHEMBL8731766 | 0.67 | — | — | |
| SCHEMBL20148571 | 0.65 | MMP8 (0.35) | — | |
| SCHEMBL4982402 | 0.65 | MMP8 (0.35) | — | |
| SCHEMBL21847338 | 0.65 | — | — | |
| SCHEMBL5859076 | 0.64 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4607126-A | Process for the preparation of glyoxal, alkylglyoxals and acetals thereof | CHEMIE LINZ AKTIENGESELLSCHAFT (AT) | 1986-08-19 | — | — | US | disclosed |