⚠ 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 SCHEMBL11605394 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6867287 | 0.95 | — | — | |
| SCHEMBL29511968 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL27846484 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL29778054 | 0.76 | GAA (0.35) | — | |
| SCHEMBL7415700 | 0.76 | — | — | |
| SCHEMBL44180 | 0.75 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL5027743 | 0.74 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11603921 | 0.74 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL432534 | 0.73 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6806380-B2 | SUCH AS 1-METHOXY-2-(3-METHYLPHENYL)ETHANIMINE BY TREATING NITRILE WITH ANHYDROUS HYDROGEN CHLORIDE SOLUTION AND ANHYDROUS ALCOHOL | LEXICON PHARMACEUTICALS, INC. | 2004-10-19 | — | — | US | disclosed |