⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14861 | 0.71 | TDP1 (1.00) | — | |
| SCHEMBL28236221 | 0.71 | TDP1 (1.00) | — | |
| SCHEMBL10413085 | 0.67 | TSHR (0.89) | — | |
| Methane SCHEMBL3208996 | 0.67 | TSHR (0.89) | — | |
| Water SCHEMBL2208354 | 0.67 | TSHR (0.89) | — | |
| Hydrochloric Acid SCHEMBL25381110 | 0.67 | TSHR (0.89) | — | |
| SCHEMBL7526385 | 0.67 | TSHR (0.89) | — | |
| SCHEMBL196691 | 0.67 | TSHR (0.89) | — | |
| SCHEMBL10168191 | 0.67 | — | — | |
| SCHEMBL30468193 | 0.67 | TSHR (0.89) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190337987-A1 | EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES | OLIPASS CORPORATION (KR) | 2019-11-07 | — | — | US | disclosed |
| CN-101627024-A | ALDH-2 inhibitors in the treatment of addiction | CV THERAPEUTICS INC | 2010-01-13 | — | — | CN | disclosed |