⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29472208 | 0.97 | — | — | |
| SCHEMBL25495 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4373214 | 0.94 | TSHR (0.94) | — | |
| SCHEMBL28534574 | 0.94 | — | — | |
| Methane SCHEMBL27762129 | 0.94 | — | — | |
| SCHEMBL357039 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1819559 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL10464135 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL31384191 | 0.94 | TSHR (0.94) | — | |
| SCHEMBL27773289 | 0.94 | — | — |
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-104028289-B | The method of chloro aminobenzen is prepared in titanium carbide loaded with nano metallic catalyst and reduction thereof | CHINA WEST NORMAL UNIVERSITY (CN) | 2016-04-13 | — | — | CN | disclosed |