⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3989278 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL5224314 | 0.83 | — | — | |
| SCHEMBL3361966 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL11565695 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7350919 | 0.81 | KMT2A (0.41) | — | |
| Hydrochloric Acid SCHEMBL201249 | 0.81 | KMT2A (0.41) | — | |
| Hydrochloric Acid SCHEMBL201248 | 0.81 | KMT2A (0.41) | — | |
| Hydrochloric Acid SCHEMBL6392619 | 0.79 | KMT2A (0.40) | — | |
| SCHEMBL6597307 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6395633 | 0.79 | KMT2A (0.40) | — |
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-105467045-A | Method for quickly detecting L-thiazolidine-4-carboxylic acid in lentinula edodes | UNIV FUJIAN AGRICULTURE & FORESTRY | 2016-04-06 | — | — | CN | disclosed |