⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8203910 | 0.82 | — | — | |
| SCHEMBL8203385 | 0.76 | CCR5 (0.33) | — | |
| SCHEMBL7849641 | 0.74 | CHRNB2 (0.32) | — | |
| SCHEMBL7849639 | 0.74 | CHRNB2 (0.32) | — | |
| SCHEMBL7849640 | 0.74 | CHRNB2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8806138 | 0.73 | CHRNB2 (0.32) | — | |
| SCHEMBL9149467 | 0.63 | — | — | |
| SCHEMBL7853120 | 0.61 | — | — | |
| SCHEMBL7853123 | 0.61 | — | — | |
| SCHEMBL9134756 | 0.61 | — | — |
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-0804442-A1 | NEW THIAZOLO 3,2-a]QUINOLINE AND THIAZOLO 3,2-a]NAPHTHYRIDINE DERIVATIVES | BAYER AG (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0770083-A1 | PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES | BAYER AG (DE) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996006848-A1 | NEW THIAZOLO[3,2-a]QUINOLINE AND THIAZOLO[3,2-a]NAPHTHYRIDINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-03-07 | — | — | WO | disclosed |
| WO-1996001829-A1 | PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-25 | — | — | WO | disclosed |