⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2878000 | 0.67 | HTR2A (0.31) | — | |
| SCHEMBL18018771 | 0.67 | — | — | |
| SCHEMBL11493959 | 0.66 | — | — | |
| SCHEMBL7606245 | 0.64 | HTR2A (0.39) | — | |
| SCHEMBL7607162 | 0.64 | HTR2A (0.39) | — | |
| SCHEMBL7556255 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL5353652 | 0.63 | HTR2A (0.38) | — | |
| SCHEMBL21678297 | 0.63 | CYP1A2 (0.33) | — | |
| SCHEMBL11872013 | 0.63 | — | — | |
| SCHEMBL7154756 | 0.62 | — | — |
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-20120088924-A1 | STEREOSELECTIVE SYNTHESIS OF BRIDGED METALLOCENE COMPLEXES | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2012-04-12 | — | — | US | disclosed |