⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4561479 | 0.81 | — | — | |
| SCHEMBL12643468 | 0.80 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL6744498 | 0.79 | HTR1A (0.36) | — | |
| Hydrochloric Acid SCHEMBL18339962 | 0.79 | HTR1A (0.36) | — | |
| SCHEMBL2030031 | 0.78 | — | — | |
| SCHEMBL19135816 | 0.75 | HTR1A (0.33) | — | |
| SCHEMBL13270248 | 0.73 | DRD2 (0.41) | — | |
| SCHEMBL374859 | 0.73 | — | — | |
| SCHEMBL15052995 | 0.73 | CA12 (0.47) | — | |
| Propane SCHEMBL1573724 | 0.73 | DNM1 (0.33) | — |
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-115958525-A | Polishing pad and method for manufacturing semiconductor device using the same | SKC索密思株式会社 | 2023-04-14 | — | — | CN | disclosed |