⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2067640 | 0.75 | TRPA1 (0.44) | — | |
| SCHEMBL7313571 | 0.74 | — | — | |
| SCHEMBL37426 | 0.74 | — | — | |
| SCHEMBL5862157 | 0.73 | — | — | |
| SCHEMBL20897852 | 0.72 | — | — | |
| SCHEMBL4239372 | 0.71 | TRPA1 (0.47) | — | |
| SCHEMBL5862159 | 0.71 | — | — | |
| SCHEMBL2874601 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL958738 | 0.67 | — | — | |
| SCHEMBL5320924 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371298-B2 | Processes for the preparation of isothiazole derivatives | PFIZER INC. (US) | 2016-06-21 | — | — | US | disclosed |
| US-20150065726-A1 | PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES | PFIZER INC. | 2015-03-05 | — | — | US | disclosed |
| US-8884025-B2 | Processes for the preparation of isothiazole derivatives | PFIZER INC. | 2014-11-11 | — | — | US | disclosed |
| EP-1784183-B1 | PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES | PFIZER (US) | 2012-01-25 | — | — | EP | disclosed |
| US-20090023924-A1 | PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES | PFIZER INC. | 2009-01-22 | — | — | US | disclosed |
| EP-1784183-A2 | PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES | Pfizer Products Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006026034-A2 | PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2006-03-09 | — | — | WO | disclosed |