⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28066475 | 0.65 | CCR2 (0.31) | — | |
| SCHEMBL11363773 | 0.61 | — | — | |
| SCHEMBL28087884 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL28088756 | 0.59 | CCR2 (0.30) | — | |
| SCHEMBL28035608 | 0.59 | CCR2 (0.30) | — | |
| SCHEMBL27677328 | 0.58 | — | — | |
| SCHEMBL10404340 | 0.57 | CCR2 (0.32) | — | |
| SCHEMBL2455242 | 0.57 | FFAR3 (0.33) | — | |
| SCHEMBL2524952 | 0.55 | — | — | |
| SCHEMBL4744790 | 0.52 | — | — |
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-111337583-A | Method for measuring content of index components in urine and separating and identifying 20 metabolites after oral administration of phyllanthus emblica tannin parts | 北京中医药大学 | 2020-06-26 | — | — | CN | disclosed |