⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11639158 | 0.75 | — | — | |
| SCHEMBL11640340 | 0.72 | — | — | |
| SCHEMBL814867 | 0.69 | — | — | |
| SCHEMBL11637303 | 0.68 | — | — | |
| SCHEMBL11638331 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL11639100 | 0.62 | — | — | |
| SCHEMBL11635719 | 0.61 | OPRM1 (0.31) | — | |
| SCHEMBL18245008 | 0.61 | SLC22A1 (0.36) | — | |
| SCHEMBL11210048 | 0.61 | ALOX15 (0.30) | — | |
| SCHEMBL11640096 | 0.61 | FFAR3 (0.36) | — |
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-4107289-A | Use of substituted pyrans as deodorant chemicals | NAARDEN INTERNATIONAL HOLLAND, B.V. (NL) | 1978-08-15 | — | — | US | disclosed |