⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4122376 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL4138862 | 0.76 | — | — | |
| SCHEMBL4137605 | 0.76 | — | — | |
| SCHEMBL4125542 | 0.75 | ALDH1A2 (0.33) | — | |
| SCHEMBL4130120 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL4132259 | 0.74 | — | — | |
| SCHEMBL4133031 | 0.74 | — | — | |
| SCHEMBL20419129 | 0.70 | — | — | |
| SCHEMBL10922686 | 0.70 | — | — | |
| SCHEMBL10944357 | 0.70 | — | — |
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-2027101-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | Symrise GmbH & Co. KG (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007131834-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | SYMRISE GMBH & CO. KG (DE) | 2007-11-22 | — | — | WO | disclosed |