⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6050550 | 0.75 | — | — | |
| SCHEMBL27860190 | 0.69 | — | — | |
| SCHEMBL10973164 | 0.69 | — | — | |
| SCHEMBL10872952 | 0.69 | — | — | |
| SCHEMBL19718302 | 0.69 | — | — | |
| SCHEMBL30623800 | 0.68 | — | — | |
| SCHEMBL18185232 | 0.67 | — | — | |
| SCHEMBL6322444 | 0.65 | — | — | |
| SCHEMBL315517 | 0.65 | — | — | |
| SCHEMBL27884552 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0039232-B1 | SUBSTITUTED TRICYCLODECANE DERIVATIVES, PROCESSES FOR PREPARING SUCH DERIVATIVES, PROCESSES FOR USING SUCH DERIVATIVES AND COMPOSITIONS USING SUCH DERIVATIVES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-07-27 | — | — | EP | disclosed |