⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3662475 | 0.80 | — | — | |
| SCHEMBL7546426 | 0.72 | — | — | |
| SCHEMBL7553694 | 0.69 | — | — | |
| SCHEMBL851932 | 0.66 | DPP4 (0.32) | — | |
| SCHEMBL97535 | 0.64 | — | — | |
| SCHEMBL10532985 | 0.63 | — | — | |
| SCHEMBL10425017 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL7194359 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL20355893 | 0.63 | — | — | |
| SCHEMBL811747 | 0.63 | — | — |
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-0746552-B1 | TETRAHYDROFURANS AND TETRAHYDROPYRANS | GIVAUDAN SA (CH) | 2002-06-12 | — | — | EP | disclosed |
| US-5665696-A | ODORANT COMPOSITIONS | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1997-09-09 | — | — | US | disclosed |
| WO-1996020185-A2 | TETRAHYDROFURANS AND TETRAHYDROPYRANS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1996-07-04 | — | — | WO | disclosed |
| US-5510326-A | SYNTHETIC ODORANT; PERFUMES | GIVAUDAN-ROURE CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |