⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6021878 | 0.97 | — | — | |
| SCHEMBL28152272 | 0.72 | — | — | |
| SCHEMBL4446006 | 0.71 | — | — | |
| Water SCHEMBL27507825 | 0.69 | CTSL (0.35) | — | |
| Hydrochloric Acid SCHEMBL31138322 | 0.69 | — | — | |
| SCHEMBL9523334 | 0.67 | — | — | |
| SCHEMBL11825430 | 0.65 | — | — | |
| SCHEMBL5730123 | 0.65 | — | — | |
| SCHEMBL11822865 | 0.65 | CTSL (0.42) | — | |
| SCHEMBL2254693 | 0.63 | MGLL (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-109265382-A | A kind of fluorine-containing thiocarbamates compound and its synthetic method | 湖北科技学院 | 2019-01-25 | — | — | CN | disclosed |
| US-5461059-A | Antihistamine; treats allergies and asthma | LABORATOIRE THERAMEX S.A. (FR) | 1995-10-24 | — | — | US | disclosed |