⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27984727 | 0.77 | — | — | |
| SCHEMBL9918669 | 0.76 | — | — | |
| SCHEMBL1273887 | 0.74 | — | — | |
| SCHEMBL28440230 | 0.73 | — | — | |
| SCHEMBL11307409 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL7645726 | 0.72 | — | — | |
| SCHEMBL1274106 | 0.72 | SMN1; SMN2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL16288500 | 0.71 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28492293 | 0.70 | — | — | |
| SCHEMBL379767 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-56071049-A | — | — | None | — | — | JP | disclosed |
| EP-3444254-B1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |
| US-10351578-B2 | Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof | Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) | 2019-07-16 | — | — | US | disclosed |
| US-20190071453-A1 | Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof | CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) | 2019-03-07 | — | — | US | disclosed |
| EP-3444254-A1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-20 | — | — | EP | disclosed |
| EP-2343280-A1 | Fungicide quinoline derivatives | Bayer CropScience AG (DE) | 2011-07-13 | — | — | EP | disclosed |
| EP-0007154-B1 | PROCESS FOR THE PREPARATION OF CYCLOPROPANE DERIVATIVES, INTERMEDIATES IN THE SYNTHESIS OF PYRETHROID INSECTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-12-30 | — | — | EP | disclosed |
| US-4284582-A | REACTING A HALOGENATED DIENE WITH A CYANIDE COMPOUND | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-08-18 | — | — | US | disclosed |
| JP-S5671049-A | PREPARATION OF AMINO ACID ESTER | UBE IND LTD | 1981-06-13 | — | — | JP | disclosed |
| EP-0007154-A1 | Process for the preparation of cyclopropane derivatives, intermediates in the synthesis of pyrethroid insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-01-23 | — | — | EP | disclosed |