⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23172667 | 1.00 | — | — | |
| SCHEMBL22677261 | 0.71 | — | — | |
| SCHEMBL21592346 | 0.71 | — | — | |
| SCHEMBL18391885 | 0.71 | — | — | |
| SCHEMBL20706139 | 0.67 | — | — | |
| SCHEMBL16221665 | 0.67 | — | — | |
| SCHEMBL21204947 | 0.64 | — | — | |
| SCHEMBL283893 | 0.62 | — | — | |
| SCHEMBL9418096 | 0.62 | — | — | |
| SCHEMBL5423980 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023072301-A1 | PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF | 正大天晴药业集团股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| WO-2019244082-A2 | ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS | NOVARTIS AG (CH) | 2019-12-26 | — | — | WO | disclosed |
| EP-3192794-A1 | SUSTAINED HIV PROTEASE INHIBITOR | Shionogi & Co., Ltd. (JP) | 2017-07-19 | — | — | EP | disclosed |
| WO-2014178954-A1 | PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-11-06 | — | — | WO | disclosed |
| WO-2014089364-A1 | HISTONE DEMETHYLASE INHIBITORS | QUANTICEL PHARMACEUTICALS, INC (US) | 2014-06-12 | — | — | WO | disclosed |
| US-20100051106-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-03-04 | — | — | US | disclosed |