⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18053236 | 0.75 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12758040 | 0.70 | PDE10A (0.38) | — | |
| SCHEMBL11940152 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL77010 | 0.67 | IDO1 (0.35) | — | |
| SCHEMBL16389482 | 0.61 | — | — | |
| SCHEMBL12257175 | 0.61 | TDP1 (0.39) | — | |
| SCHEMBL11217949 | 0.60 | — | — | |
| SCHEMBL862543 | 0.60 | IDO1 (0.31) | — | |
| SCHEMBL862319 | 0.58 | IDO1 (0.30) | — | |
| SCHEMBL1251696 | 0.58 | IDO1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140231702-A1 | Cobalt Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts | DOW CORNING CORPORATION | 2014-08-21 | — | — | US | disclosed |