⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15884785 | 0.80 | IRAK4 (0.32) | — | |
| SCHEMBL26388323 | 0.80 | — | — | |
| SCHEMBL26388371 | 0.79 | — | — | |
| SCHEMBL25637992 | 0.77 | L3MBTL1 (0.41) | — | |
| SCHEMBL17247576 | 0.77 | USP2 (0.31) | — | |
| SCHEMBL4555045 | 0.76 | CYP2C19 (0.34) | — | |
| SCHEMBL8269743 | 0.76 | — | — | |
| SCHEMBL859093 | 0.74 | — | — | |
| SCHEMBL20260626 | 0.74 | — | — | |
| SCHEMBL1820159 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230107663-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. | 2023-04-06 | — | — | US | disclosed |
| CN-115916754-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |
| US-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. | 2013-09-26 | — | — | US | disclosed |
| WO-2012133607-A1 | PYRAZOLE COMPOUND | アステラス製薬株式会社 (JP) | 2012-10-04 | — | — | WO | disclosed |