⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761439 | 0.93 | — | — | |
| SCHEMBL1272614 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL28015182 | 0.76 | BRD4 (0.37) | — | |
| SCHEMBL28464884 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL28014485 | 0.74 | BRD4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28195143 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL30203870 | 0.73 | BRD4 (0.38) | — | |
| SCHEMBL2667175 | 0.71 | — | — | |
| SCHEMBL8007247 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL909148 | 0.71 | KMT2A (0.37) | — |
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-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |
| EP-3287445-A1 | PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF | Qingdao Kingagroot Chemical Compounds Co., Ltd (CN) | 2018-02-28 | — | — | EP | disclosed |
| EP-3135668-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |