⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290048 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27549784 | 0.89 | — | — | |
| Thiophene SCHEMBL27660586 | 0.78 | HDAC8 (0.73) | — | |
| SCHEMBL129340 | 0.69 | — | — | |
| SCHEMBL27983255 | 0.60 | — | — | |
| SCHEMBL5752803 | 0.58 | KMT2A (0.47) | — | |
| Thiazole-5-Carbaldehyde SCHEMBL194323 | 0.58 | — | — | |
| SCHEMBL544073 | 0.58 | — | — | |
| Thiazole-5-Carbaldehyde SCHEMBL1316528 | 0.58 | PIM1 (0.42) | — | |
| SCHEMBL1607123 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109896996-A | Organic carboxyl acid is continuously synthesizing to method | 凯莱英生命科学技术(天津)有限公司 | 2019-06-18 | — | — | CN | disclosed |