⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7595620 | 0.77 | TP53 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8380429 | 0.76 | AGXT (0.33) | — | |
| Bromide SCHEMBL8380336 | 0.76 | IDO1 (0.31) | — | |
| SCHEMBL23854466 | 0.72 | CA4 (0.31) | — | |
| SCHEMBL21044988 | 0.72 | TP53 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7205877 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL28474300 | 0.70 | — | — | |
| SCHEMBL28465794 | 0.70 | TAAR1 (0.32) | — | |
| SCHEMBL8424355 | 0.70 | — | — | |
| SCHEMBL7174568 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020103315-A1 | Catalyst composition for the polymerization of olefins | PETERSON THOMAS H (US) | 2002-08-01 | — | — | US | disclosed |
| EP-1115760-A1 | MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS | Univation Technologies LLC (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000015676-A1 | MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS | UNIVATION TECHNOLOGIES, LLC (US) | 2000-03-23 | — | — | WO | disclosed |