⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4957499 | 0.82 | — | — | |
| SCHEMBL4957504 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL24603276 | 0.75 | POLB (0.30) | — | |
| SCHEMBL4954389 | 0.73 | — | — | |
| SCHEMBL4953989 | 0.72 | — | — | |
| SCHEMBL4951855 | 0.72 | — | — | |
| SCHEMBL4954393 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4953992 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL4951860 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL6031956 | 0.68 | — | — |
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-20210401410-A1 | METHOD AND APPARATUS FOR COLLECTION OF FLUID SAMPLES | TEXAS TECH UNIVERSITY SYSTEM (US) | 2021-12-30 | — | — | US | disclosed |