⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5940684 | 0.77 | — | — | |
| SCHEMBL10975308 | 0.77 | — | — | |
| SCHEMBL8923139 | 0.77 | — | — | |
| SCHEMBL8923012 | 0.77 | — | — | |
| SCHEMBL18759187 | 0.76 | — | — | |
| SCHEMBL480803 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL8419062 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL8424766 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL2935256 | 0.74 | — | — | |
| SCHEMBL5081279 | 0.74 | — | — |
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-0636116-B1 | PENTENE DERIVATIVES, THEIR PREPARATION AND THEIR USE | HENKEL KGAA (DE) | 1997-08-13 | — | — | EP | disclosed |
| US-5504066-A | FRAGRANCES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-04-02 | — | — | US | disclosed |
| EP-0636116-A1 | PENTENE DERIVATIVES, THEIR PREPARATION AND THEIR USE. | HENKEL KGAA (DE) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021142-A1 | PENTENE DERIVATIVES, THEIR PREPARATION AND THEIR USE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-10-28 | — | — | WO | disclosed |