⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3953880 | 0.86 | — | — | |
| SCHEMBL6651850 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL8842375 | 0.85 | FAAH (0.36) | — | |
| SCHEMBL9578997 | 0.83 | FAAH (0.38) | — | |
| SCHEMBL15327812 | 0.83 | FAAH (0.38) | — | |
| SCHEMBL9062495 | 0.81 | THRB (0.44) | — | |
| SCHEMBL10351921 | 0.78 | — | — | |
| SCHEMBL393858 | 0.78 | — | — | |
| SCHEMBL609698 | 0.76 | — | — | |
| SCHEMBL609959 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161220-B1 | PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-14 | — | — | EP | disclosed |
| EP-0161220-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |
| EP-0126030-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta-(benzimidazolylthio) carboxylic acids | CIBA-GEIGY AG (CH) | 1984-11-21 | — | — | EP | disclosed |