⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL75686 | 0.79 | — | — | |
| SCHEMBL233900 | 0.77 | — | — | |
| SCHEMBL107908 | 0.77 | — | — | |
| SCHEMBL105747 | 0.77 | — | — | |
| SCHEMBL2048151 | 0.77 | — | — | |
| SCHEMBL10009945 | 0.77 | — | — | |
| SCHEMBL6048923 | 0.76 | — | — | |
| SCHEMBL7149896 | 0.74 | — | — | |
| SCHEMBL27663345 | 0.74 | — | — | |
| SCHEMBL24124 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2225288-B1 | SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR | GRACE W R & CO (US) | 2018-08-29 | — | — | EP | disclosed |
| US-20100273641-A1 | Self-Limiting Catalyst Composition with Non-Phthalate Internal Donor | W. R. GRACE & CO.-CONN. | 2010-10-28 | — | — | US | disclosed |