⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28286975 | 0.77 | — | — | |
| SCHEMBL18758415 | 0.77 | — | — | |
| SCHEMBL15288386 | 0.75 | — | — | |
| SCHEMBL2235123 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL124179 | 0.73 | — | — | |
| SCHEMBL27265453 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL6363154 | 0.73 | — | — | |
| SCHEMBL9603191 | 0.73 | — | — | |
| SCHEMBL1869372 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL7216621 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3943496-A1 | WEE1 INHIBITOR AND PREPARATION AND USE THEREOF | Shouyao Holdings (Beijing) Co., Ltd. (CN) | 2022-01-26 | — | — | EP | disclosed |
| WO-2020192581-A1 | WEE1 INHIBITOR AND PREPARATION AND USE THEREOF | 首药控股(北京)有限公司 | 2020-10-01 | — | — | WO | disclosed |
| US-20200247812-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PRIVATE LTD (IN) | 2020-08-06 | — | — | US | disclosed |
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |
| EP-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |
| JP-2003231670-A | METHOD FOR PRODUCING AMINO ACID AMIDE | MITSUBISHI RAYON CO LTD | 2003-08-19 | — | — | JP | disclosed |