⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19788880 | 0.77 | — | — | |
| SCHEMBL14033366 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL11773472 | 0.73 | — | — | |
| SCHEMBL25077526 | 0.72 | — | — | |
| SCHEMBL1964310 | 0.69 | — | — | |
| SCHEMBL4422406 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL17621626 | 0.67 | — | — | |
| SCHEMBL6456132 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL23076122 | 0.67 | — | — | |
| SCHEMBL1966547 | 0.67 | ALDH1A1 (0.48) | — |
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-9873680-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| WO-2016033243-A9 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES, INC. (US) | 2016-05-19 | — | — | WO | disclosed |