⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1829070 | 0.70 | — | — | |
| SCHEMBL380749 | 0.69 | — | — | |
| SCHEMBL4383265 | 0.65 | — | — | |
| SCHEMBL14715309 | 0.64 | — | — | |
| SCHEMBL15210508 | 0.62 | — | — | |
| SCHEMBL1830501 | 0.62 | — | — | |
| SCHEMBL21591045 | 0.60 | — | — | |
| SCHEMBL10774939 | 0.60 | — | — | |
| SCHEMBL3623472 | 0.59 | — | — | |
| SCHEMBL22116319 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2788336-A1 | BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | Gilead Sciences, Inc. (US) | 2014-10-15 | — | — | EP | disclosed |
| WO-2013159064-A1 | BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2013-10-24 | — | — | WO | disclosed |