⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19616344 | 1.00 | — | — | |
| SCHEMBL10223484 | 0.65 | — | — | |
| SCHEMBL2479084 | 0.63 | — | — | |
| SCHEMBL676844 | 0.63 | — | — | |
| SCHEMBL22034671 | 0.63 | — | — | |
| SCHEMBL519521 | 0.63 | — | — | |
| SCHEMBL22034584 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL17317912 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL30016730 | 0.61 | — | — | |
| SCHEMBL17818252 | 0.60 | — | — |
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-20190315731-A1 | 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS, LTD. (CH) | 2019-10-17 | — | — | US | disclosed |