⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11643396 | 0.79 | — | — | |
| SCHEMBL1470402 | 0.77 | — | — | |
| SCHEMBL11640615 | 0.76 | — | — | |
| SCHEMBL11641386 | 0.71 | — | — | |
| SCHEMBL11643735 | 0.71 | — | — | |
| SCHEMBL873775 | 0.71 | — | — | |
| SCHEMBL11643352 | 0.69 | — | — | |
| SCHEMBL5381344 | 0.69 | — | — | |
| SCHEMBL5598913 | 0.68 | — | — | |
| SCHEMBL17267385 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4113664-A | 2,4-Dioxa-spiro(5,5)undec-8-ene perfume compositions | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1978-09-12 | — | — | US | disclosed |