⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1207813 | 0.78 | — | — | |
| SCHEMBL166683 | 0.69 | — | — | |
| SCHEMBL10561217 | 0.69 | — | — | |
| SCHEMBL678374 | 0.65 | — | — | |
| SCHEMBL6690728 | 0.65 | — | — | |
| SCHEMBL9748429 | 0.63 | — | — | |
| SCHEMBL23926890 | 0.62 | — | — | |
| SCHEMBL136714 | 0.62 | — | — | |
| SCHEMBL6996033 | 0.58 | CYP2C9 (0.38) | — | |
| SCHEMBL1033397 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4353826-A | ANTITUBERCULAR ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |
| US-4261891-A | BACTERICIDES, ANTITUBERCULAR AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| US-4005077-A | DERIVATIVES OF RIFAMYCIN S OR SV | CIBA-GEIGY CORPORATION (US) | 1977-01-25 | — | — | US | disclosed |