⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15825594 | 0.86 | ATM (0.31) | — | |
| SCHEMBL17433058 | 0.86 | ATM (0.31) | — | |
| SCHEMBL11992654 | 0.77 | GBA1 (0.31) | — | |
| SCHEMBL24970735 | 0.77 | GBA1 (0.31) | — | |
| SCHEMBL18202960 | 0.76 | ATM (0.37) | — | |
| SCHEMBL16508759 | 0.75 | — | — | |
| SCHEMBL26842301 | 0.72 | HRH3 (0.31) | — | |
| SCHEMBL19415271 | 0.72 | — | — | |
| SCHEMBL17677165 | 0.70 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL26569766 | 0.70 | SMN1; SMN2 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0029623-B1 | PREPARATION OF CATALYST COMPONENTS AND POLYMERIZATION OF OLEFINS EMPLOYING SUCH CATALYST COMPONENTS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1984-06-13 | — | — | EP | disclosed |
| US-4419501-A | COORDINATION CATALYSTS | SHELL OIL COMPANY (US) | 1983-12-06 | — | — | US | disclosed |
| US-4343721-A | Olefin polymerization catalyst components and polymerization process | SHELL OIL COMPANY (US) | 1982-08-10 | — | — | US | disclosed |
| EP-0029623-A1 | Preparation of catalyst components and polymerization of olefins employing such catalyst components | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-06-03 | — | — | EP | disclosed |