⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3202060 | 0.78 | CYP2C9 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4079400 | 0.77 | TDP1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL4079392 | 0.77 | TDP1 (0.51) | — | |
| SCHEMBL2051187 | 0.75 | TRHR (0.31) | — | |
| SCHEMBL18114605 | 0.70 | — | — | |
| SCHEMBL22555800 | 0.67 | — | — | |
| SCHEMBL13870549 | 0.67 | PIK3CG (0.36) | — | |
| SCHEMBL5777184 | 0.66 | — | — | |
| SCHEMBL21630274 | 0.66 | — | — | |
| SCHEMBL4760870 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7517995-B2 | Thiazolyl-dihydro-cyclopentapyrazole | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| US-20070238730-A1 | THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |