⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21675851 | 0.71 | SLC6A4 (0.31) | — | |
| SCHEMBL21450061 | 0.70 | ESR1 (0.39) | — | |
| SCHEMBL24700585 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL19954875 | 0.65 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL26399905 | 0.62 | KCNH2 (0.31) | — | |
| SCHEMBL21085218 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL18427396 | 0.60 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL19646227 | 0.60 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL18811782 | 0.59 | ESR1 (0.37) | — | |
| SCHEMBL22895111 | 0.59 | NR3C2 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10752636-B2 | HIV inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2020-08-25 | — | — | US | disclosed |
| US-20190308983-A1 | HIV INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2019-10-10 | — | — | US | disclosed |