⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11069153 | 0.59 | — | — | |
| SCHEMBL363537 | 0.56 | — | — | |
| SCHEMBL11878887 | 0.56 | — | — | |
| SCHEMBL102744 | 0.54 | — | — | |
| SCHEMBL7692887 | 0.54 | — | — | |
| SCHEMBL760077 | 0.54 | — | — | |
| SCHEMBL5586217 | 0.53 | — | — | |
| SCHEMBL406 | 0.50 | — | — | |
| SCHEMBL14823834 | 0.47 | — | — | |
| SCHEMBL76286 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0095340-B1 | PROCESSES FOR MAKING 3-METHYLTHIOPHENE-2-CARBOXALDEHYDE AND INTERMEDIATES THEREFOR | PFIZER INC. (US) | 1986-08-13 | — | — | EP | disclosed |
| US-4476312-A | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1984-10-09 | — | — | US | disclosed |
| US-4471139-A | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1984-09-11 | — | — | US | disclosed |
| EP-0095340-A1 | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1983-11-30 | — | — | EP | disclosed |