⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23890476 | 0.79 | — | — | |
| SCHEMBL18595029 | 0.76 | — | — | |
| SCHEMBL3322875 | 0.73 | — | — | |
| SCHEMBL786437 | 0.73 | NOS3 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28135320 | 0.71 | NOS3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28150542 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL4616815 | 0.71 | — | — | |
| SCHEMBL28079964 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL17399895 | 0.71 | — | — | |
| SCHEMBL19577698 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11352329-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2022-06-07 | — | — | US | disclosed |
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| US-20210078959-A1 | HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. | 2021-03-18 | — | — | US | disclosed |
| US-10774053-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-20190210978-A1 | HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-07-11 | — | — | US | disclosed |
| WO-2019075291-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-04-18 | — | — | WO | disclosed |
| US-20100298314-A1 | NOVEL JNK INHIBITORS | SCHERING CORPORATION | 2010-11-25 | — | — | US | disclosed |