⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11199283 | 0.71 | — | — | |
| SCHEMBL11199279 | 0.67 | — | — | |
| SCHEMBL2106195 | 0.66 | NOS3 (0.30) | — | |
| SCHEMBL2108351 | 0.66 | — | — | |
| SCHEMBL10349644 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL11431438 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL6531819 | 0.64 | — | — | |
| SCHEMBL10464804 | 0.62 | — | — | |
| SCHEMBL11038302 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL1414793 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461315-B1 | CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES | CORNELL RES FOUNDATION INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1461315-A4 | CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES | CORNELL RES FOUNDATION INC (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6852865-B2 | Catalytic carbonylation of three and four membered heterocycles | CORNELL RESEARCH FOUNDATION, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| EP-1461315-A2 | CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES | CORNELL RESEARCH FOUNDATION, INC. (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20030162961-A1 | Catalytic carbonylation of three and four membered heterocycles | CORNELL RESEARCH FOUNDATION, INC. | 2003-08-28 | — | — | US | disclosed |
| WO-2003050154-A2 | CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES | CORNELL RESEARCH FOUNDATION, INC. (US) | 2003-06-19 | — | — | WO | disclosed |