⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73934 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5652646 | 0.86 | — | — | |
| SCHEMBL19838559 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL29144528 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL29014480 | 0.86 | — | — | |
| Cyclohexane SCHEMBL9980447 | 0.81 | AURKA (0.42) | — | |
| Formamide SCHEMBL28513591 | 0.77 | — | — | |
| Oxirane SCHEMBL28467741 | 0.77 | — | — | |
| Maleic Acid SCHEMBL31158052 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL17958027 | 0.73 | CA2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014041518-A1 | THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2014-03-20 | — | — | WO | disclosed |