⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29039653 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL486034 | 0.53 | ESR1 (0.36) | — | |
| SCHEMBL30644226 | 0.51 | TLR4 (0.43) | — | |
| SCHEMBL19003295 | 0.51 | KDM4E (0.31) | — | |
| SCHEMBL16053799 | 0.49 | HTT (0.38) | — | |
| SCHEMBL28628472 | 0.48 | CYP19A1 (0.35) | — | |
| SCHEMBL4063047 | 0.48 | ESR1 (0.31) | — | |
| SCHEMBL5365813 | 0.48 | CA1 (0.34) | — | |
| SCHEMBL37526 | 0.48 | — | — | |
| SCHEMBL27985569 | 0.48 | — | — |
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-20090143279-A1 | Methods and compositions for treating metabolic disorders | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-06-04 | — | — | US | disclosed |
| WO-2008156654-A2 | CYTOSKELETON MODULATORS FOR TREATING METABOLIC DISORDERS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2008-12-24 | — | — | WO | disclosed |