⚠ 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 SCHEMBL10322072 | 0.94 | — | — | |
| SCHEMBL26790 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL11549313 | 0.82 | CA12 (0.31) | — | |
| SCHEMBL45376 | 0.80 | — | — | |
| SCHEMBL7571656 | 0.78 | — | — | |
| SCHEMBL5813108 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL16933741 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL16933950 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL16933803 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL12672703 | 0.75 | CA12 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105960400-A | Sulphamoylthiophenamide derivatives and the use thereof as medicaments for the treatment of hepatitis b | 爱尔兰詹森科学公司 | 2016-09-21 | — | — | CN | disclosed |
| US-5019654-A | Fluorinated tertiary butylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-05-28 | — | — | US | disclosed |