⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7938387 | 0.64 | — | — | |
| SCHEMBL11869752 | 0.61 | — | — | |
| SCHEMBL28249299 | 0.59 | MAPK1 (0.33) | — | |
| SCHEMBL7866209 | 0.57 | CYP2D6 (0.34) | — | |
| SCHEMBL9615422 | 0.57 | LMNA (0.33) | — | |
| SCHEMBL1008703 | 0.57 | ATM (0.42) | — | |
| SCHEMBL1008702 | 0.57 | ATM (0.42) | — | |
| SCHEMBL8744057 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL6687850 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL755432 | 0.56 | ALDH1A1 (0.47) | — |
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-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | claimed |
| US-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | disclosed |