⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1821079 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL8852312 | 0.65 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL8852304 | 0.64 | — | — | |
| SCHEMBL22802565 | 0.64 | CA1 (0.35) | — | |
| SCHEMBL8852592 | 0.56 | — | — | |
| Pentabromophenol SCHEMBL9805044 | 0.52 | CA1 (0.31) | — | |
| Pentabromophenol SCHEMBL11517668 | 0.52 | CA1 (0.31) | — | |
| SCHEMBL11881165 | 0.51 | TSHR (0.44) | — | |
| SCHEMBL192021 | 0.51 | TSHR (0.44) | — |
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-5594079-A | COORDINATION CATALYST CONTAINING BORON, STEREOREGULAR POLYPROPYLENE | TOSOH CORPORATION (JP) | 1997-01-14 | — | — | US | disclosed |
| EP-0582278-A2 | Method for producing a polyolefin | TOSOH CORPORATION (JP) | 1994-02-09 | — | — | EP | disclosed |