⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10434835 | 0.70 | — | — | |
| SCHEMBL9214223 | 0.67 | — | — | |
| SCHEMBL9278597 | 0.65 | — | — | |
| SCHEMBL6657856 | 0.64 | — | — | |
| SCHEMBL9953874 | 0.64 | — | — | |
| SCHEMBL11046851 | 0.64 | — | — | |
| SCHEMBL27586478 | 0.63 | CYP3A4 (0.30) | — | |
| SCHEMBL668278 | 0.63 | — | — | |
| SCHEMBL3978109 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL10447280 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0938477-A4 | BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS | CEPHALON INC (US) | 1999-12-29 | — | — | EP | disclosed |
| US-5952328-A | MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES | CEPHALON, INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0938477-A1 | BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS | CEPHALON, INC. (US) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998021186-A1 | BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS | CEPHALON, INC. (US) | 1998-05-22 | — | — | WO | disclosed |