⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10520401 | 0.74 | GABRA1 (0.33) | — | |
| SCHEMBL8516992 | 0.70 | — | — | |
| SCHEMBL9624196 | 0.68 | PTGS1 (0.35) | — | |
| SCHEMBL11444354 | 0.65 | — | — | |
| SCHEMBL3807160 | 0.64 | NPSR1 (0.30) | — | |
| SCHEMBL3033826 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL3807551 | 0.62 | STAT3 (0.33) | — | |
| SCHEMBL5141296 | 0.60 | MAOA (0.44) | — | |
| SCHEMBL4589598 | 0.60 | — | — | |
| SCHEMBL2360405 | 0.57 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7319084-B2 | Catalysts containing N-pyrrolyl substituted nitrogen donors | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-15 | — | — | US | disclosed |
| US-20060178490-A1 | Catalysts containing N-pyrrolyl substituted nitrogen donors | E. I. DU PONT DE NEMOURS AND COMPANY | 2006-08-10 | — | — | US | disclosed |
| US-20050054856-A1 | Catalysts containing N-pyrrolyl substituted nitrogen donors | EASTMAN CHEMICAL COMPANY (US) | 2005-03-10 | — | — | US | disclosed |
| US-6825356-B2 | REMAINING DONOR ATOMS OF THE LIGAND ARE SELECTED FROM THE GROUP CONSISTING OF C, N, P, AS, O, S, AND SE | EASTMAN CHEMICAL COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-20030225228-A1 | Catalysts containing N-pyrrolyl substituted nitrogen donors | EASTMAN CHEMICAL COMPANY | 2003-12-04 | — | — | US | disclosed |
| US-20030195110-A1 | Catalysts containing N-pyrrolyl substituted nitrogen donors | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-10-16 | — | — | US | disclosed |
| US-6559091-B1 | Metal complex ligated by a monodentate, bidentate, tridentate, or tetradentate ligand, wherein at least one of the donor atoms of the ligand is a nitrogen atom substituted by a 1-pyrrolyl or substituted 1- pyrrolyl group | EASTMAN CHEMICAL COMPANY | 2003-05-06 | — | — | US | disclosed |
| US-6545108-B1 | Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se | EASTMAN CHEMICAL COMPANY | 2003-04-08 | — | — | US | disclosed |
| EP-1278784-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2003-01-29 | — | — | EP | disclosed |
| EP-1192189-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2001083571-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2001-11-08 | — | — | WO | disclosed |
| WO-2000050470-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2000-08-31 | — | — | WO | disclosed |