⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2702955 | 0.76 | EPHX1 (0.36) | — | |
| SCHEMBL12384744 | 0.76 | ESR2 (0.41) | — | |
| SCHEMBL12385880 | 0.76 | ESR2 (0.41) | — | |
| SCHEMBL2350456 | 0.76 | EPHX1 (0.36) | — | |
| SCHEMBL17897996 | 0.76 | ESR2 (0.41) | — | |
| SCHEMBL2703592 | 0.76 | EPHX1 (0.36) | — | |
| SCHEMBL28048373 | 0.72 | — | — | |
| SCHEMBL25306285 | 0.69 | — | — | |
| SCHEMBL25544601 | 0.69 | — | — | |
| SCHEMBL15088336 | 0.69 | — | — |
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-2612923-A1 | METHOD FOR SEARCHING FOR MALODOR CONTROL AGENT, MALODOR CONTROL AGENT, AND MALODOR CONTROL METHOD | Kao Corporation (JP) | 2013-07-10 | — | — | EP | disclosed |