⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872447 | 0.61 | — | — | |
| SCHEMBL4352 | 0.49 | — | — | |
| SCHEMBL2814 | 0.49 | — | — | |
| Bromide SCHEMBL31546681 | 0.46 | — | — | |
| SCHEMBL4252284 | 0.46 | — | — | |
| SCHEMBL17938080 | 0.46 | ALDH1A1 (0.33) | — | |
| SCHEMBL72736 | 0.46 | — | — | |
| Ammonia Solution, Strong SCHEMBL4182902 | 0.46 | — | — | |
| Isobutane SCHEMBL7754023 | 0.45 | TSHR (0.50) | — | |
| Isobutane SCHEMBL20490082 | 0.45 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11912664-B2 | Determining small molecule-protein and protein-protein interactions | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230220001-A1 | METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES | HEIDELBERG PHARMA RESEARCH GMBH (DE) | 2023-07-13 | — | — | US | disclosed |
| US-20230220001-A1 | METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES | HEIDELBERG PHARMA RESEARCH GMBH (DE) | 2023-07-13 | — | — | US | disclosed |
| US-9193678-B2 | Chemical agents capable of forming covalent 3-D networks | OXFORD ADVANCED SURFACES LTD (GB) | 2015-11-24 | — | — | US | disclosed |
| US-20120021223-A1 | CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS | OXFORD ADVANCED SURFACES LTD. (GB) | 2012-01-26 | — | — | US | disclosed |
| US-20120021223-A1 | CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS | OXFORD ADVANCED SURFACES LTD. (GB) | 2012-01-26 | — | — | US | disclosed |