⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10057719 | 0.83 | TRPA1 (0.40) | — | |
| SCHEMBL1694511 | 0.81 | — | — | |
| SCHEMBL795540 | 0.80 | TRPA1 (0.65) | — | |
| SCHEMBL13146318 | 0.80 | TRPA1 (0.65) | — | |
| SCHEMBL795539 | 0.80 | TRPA1 (0.65) | — | |
| SCHEMBL7154659 | 0.79 | — | — | |
| SCHEMBL7617399 | 0.79 | FNTA (0.64) | — | |
| SCHEMBL13142544 | 0.79 | FNTA (0.64) | — | |
| SCHEMBL10871808 | 0.79 | FNTA (0.64) | — | |
| SCHEMBL7107157 | 0.77 | MTNR1A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-218561168-U | Process water removes and hangs deoiling pretreatment systems | 北京欧谊德科技有限公司 | 2023-03-03 | — | — | CN | disclosed |