⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8733319 | 1.00 | — | — | |
| SCHEMBL8736243 | 1.00 | — | — | |
| SCHEMBL1397144 | 0.80 | CA1 (0.35) | — | |
| SCHEMBL8459222 | 0.78 | — | — | |
| SCHEMBL2467543 | 0.72 | TP53 (0.40) | — | |
| SCHEMBL19056892 | 0.72 | TP53 (0.40) | — | |
| SCHEMBL23253422 | 0.72 | HSP90AA1 (0.41) | — | |
| SCHEMBL3880013 | 0.71 | — | — | |
| SCHEMBL2355707 | 0.70 | TP53 (0.38) | — | |
| SCHEMBL8462935 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0664286-B1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH & CIE (CH) | 1998-04-22 | — | — | EP | disclosed |
| US-5521151-A | Tetralinic nitriles, their use as perfuming ingredients and aldehyde intermediates for their preparation | FIRMENICH S.A. (CH) | 1996-05-28 | — | — | US | disclosed |
| EP-0664286-A1 | Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation | FIRMENICH SA (CH) | 1995-07-26 | — | — | EP | disclosed |