⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17602961 | 0.85 | SSTR4 (0.38) | — | |
| SCHEMBL17602963 | 0.79 | — | — | |
| SCHEMBL16095967 | 0.78 | — | — | |
| SCHEMBL1132975 | 0.69 | CA12 (0.31) | — | |
| SCHEMBL23355597 | 0.67 | GRIN2D (0.36) | — | |
| SCHEMBL30656499 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL1965746 | 0.66 | SSTR4 (0.41) | — | |
| SCHEMBL18076253 | 0.65 | — | — | |
| SCHEMBL6835334 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL161037 | 0.64 | CYP2C9 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3186239-B1 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES INC (US) | 2018-10-10 | — | — | EP | disclosed |
| EP-3186239-A1 | ANTIRETROVIRAL AGENTS | Gilead Sciences, Inc. (US) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016033243-A9 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES, INC. (US) | 2016-05-19 | — | — | WO | disclosed |
| WO-2016033243-A1 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES, INC. (US) | 2016-03-03 | — | — | WO | disclosed |