⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336402 | 0.82 | — | — | |
| SCHEMBL10982154 | 0.81 | — | — | |
| SCHEMBL5701070 | 0.80 | — | — | |
| SCHEMBL9861855 | 0.77 | — | — | |
| SCHEMBL5701201 | 0.74 | — | — | |
| SCHEMBL7947914 | 0.73 | — | — | |
| SCHEMBL6713980 | 0.73 | CA12 (0.38) | — | |
| Acetic Acid SCHEMBL15453589 | 0.73 | CPB2 (0.32) | — | |
| SCHEMBL1947690 | 0.73 | — | — | |
| SCHEMBL361861 | 0.72 | — | — |
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-20080075981-A1 | Magnetic recording medium | HITACHI MAXELL, LTD. (JP) | 2008-03-27 | — | — | US | disclosed |