⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11244728 | 1.00 | — | — | |
| SCHEMBL10598207 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL10598214 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL4562417 | 0.79 | — | — | |
| SCHEMBL7690892 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL19333596 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL28569353 | 0.75 | — | — | |
| SCHEMBL2375960 | 0.75 | — | — | |
| SCHEMBL30038 | 0.75 | — | — | |
| SCHEMBL16124303 | 0.74 | ALDH1A1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0021013-B1 | 2,4-DISUBSTITUTED PYRAN DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS PERFUMING AGENTS | BASF Aktiengesellschaft (DE) | 1982-10-13 | — | — | EP | disclosed |
| US-4292244-A | Novel 2,4-disubstituted pyran derivatives, their preparation and their use as scents | BASF AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | disclosed |
| EP-0021013-A1 | 2,4-Disubstituted pyran derivatives, their preparation and their application as perfuming agents | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |