⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31249825 | 0.98 | GRIN2D (0.36) | — | |
| SCHEMBL16609878 | 0.84 | SLC7A5 (0.41) | — | |
| SCHEMBL27963545 | 0.82 | PAX8 (0.32) | — | |
| SCHEMBL3081144 | 0.82 | — | — | |
| SCHEMBL27773901 | 0.81 | — | — | |
| SCHEMBL16808726 | 0.80 | — | — | |
| SCHEMBL1110727 | 0.78 | — | — | |
| SCHEMBL28496420 | 0.78 | — | — | |
| SCHEMBL11194617 | 0.78 | — | — | |
| SCHEMBL905193 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240398963-A1 | DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF | COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) | 2024-12-05 | — | — | US | disclosed |
| CN-108047010-A | A kind of method that glycol dehydration prepares acetaldehyde | 扬州大学 | 2018-05-18 | — | — | CN | disclosed |
| US-6310180-B1 | PEPTIDE BIOSYNTHESIS REQUIRING NEITHER PROTECTION NOR ACTIVE C-ALPHA CARBOXYL GROUPS BY COUPLING PEPTIDES BY REACTING A 1-AMINO-2-MERCAPTO ALKYL ATTACHED TO ONE PEPTIDE WITH THE CARBOXY GROUP OF THE OTHER; REARRANGEMENT; STABILITY | VANDERBILT UNIVERSITY | 2001-10-30 | — | — | US | disclosed |