⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911485 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6906694 | 0.80 | — | — | |
| SCHEMBL1023692 | 0.79 | — | — | |
| SCHEMBL6910455 | 0.78 | — | — | |
| SCHEMBL2677487 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1023693 | 0.78 | — | — | |
| SCHEMBL2524671 | 0.77 | NPC1 (0.30) | — | |
| SCHEMBL2525070 | 0.76 | CA12 (0.33) | — | |
| SCHEMBL6909458 | 0.74 | — | — | |
| SCHEMBL21980377 | 0.72 | CA12 (0.31) | — |
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-20040260107-A1 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | EQUISTAR CHEMICALS, LP | 2004-12-23 | — | — | US | disclosed |