⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2121938 | 0.80 | GRIK1 (0.35) | — | |
| SCHEMBL25762162 | 0.79 | — | — | |
| SCHEMBL2123353 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL995365 | 0.77 | HMGCR (0.41) | — | |
| SCHEMBL2121756 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL2123313 | 0.75 | — | — | |
| SCHEMBL28909520 | 0.75 | — | — | |
| SCHEMBL3885197 | 0.73 | MME (0.34) | — | |
| SCHEMBL31390449 | 0.73 | PTPN7 (0.50) | — | |
| SCHEMBL6959259 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |
| CN-115322211-A | Preparation method of alkenyl-substituted-alpha-hydroxy borate compound | 香港科技大学深圳研究院 | 2022-11-11 | — | — | CN | disclosed |
| US-8349857-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2013-01-08 | — | — | US | disclosed |
| US-20120123114-A1 | QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-5744071-A | Processes for preparing alkynyl ketones and precursors thereof | FMC CORPORATION (US) | 1998-04-28 | — | — | US | disclosed |