⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10735 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28623820 | 0.82 | TAAR1 (0.54) | — | |
| Dimethylamine SCHEMBL2646042 | 0.78 | TAAR1 (0.50) | — | |
| SCHEMBL20398408 | 0.78 | — | — | |
| SCHEMBL20398404 | 0.77 | — | — | |
| M-Xylene SCHEMBL18687164 | 0.75 | — | — | |
| SCHEMBL123838 | 0.75 | TSHR (0.61) | — | |
| Hydrochloric Acid SCHEMBL14334287 | 0.73 | ENPP2 (0.58) | — | |
| SCHEMBL14960038 | 0.72 | PRKCI (0.58) | — | |
| Malonic Acid SCHEMBL27771971 | 0.72 | NPC1 (0.50) | — |
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-20180208566-A1 | Deuterated Meclizine | CONCERT PHARMACEUTICALS, INC. | 2018-07-26 | — | — | US | disclosed |