⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL402217 | 0.87 | — | — | |
| Butane SCHEMBL9163524 | 0.84 | — | — | |
| Butane SCHEMBL3165890 | 0.83 | METAP1 (0.30) | — | |
| Butane SCHEMBL4150351 | 0.75 | HSD17B10 (0.31) | — | |
| Butane SCHEMBL4577044 | 0.75 | — | — | |
| SCHEMBL2349132 | 0.75 | — | — | |
| SCHEMBL21670459 | 0.75 | LPAR2 (0.31) | — | |
| Butane SCHEMBL9737574 | 0.75 | CA1 (0.33) | — | |
| SCHEMBL23631725 | 0.73 | LAP3 (0.31) | — | |
| Butane SCHEMBL11429688 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100311694-A1 | Set of Geldanamycin Derivatives and Their Preparation Methods | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2010-12-09 | — | — | US | disclosed |
| EP-2253621-A1 | A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS | Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) | 2010-11-24 | — | — | EP | disclosed |