⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466965 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7040188 | 0.67 | ALDH1A1 (0.45) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.66 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.66 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.66 | ALDH1A1 (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.66 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292545 | 0.64 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292879 | 0.64 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL426060 | 0.64 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25293988 | 0.64 | ALDH1A1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7417142-B2 | Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) | 2008-08-26 | — | — | US | disclosed |
| EP-1470127-B1 | N, N'-DIMETHYLATED N-CONFUSED PORPHYRINS | UNIV BRITISH COLUMBIA (CA) | 2007-05-02 | — | — | EP | disclosed |
| US-20060030718-A1 | Cobalt-based catalysts for the cyclization of alkenes | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2006-02-09 | — | — | US | disclosed |
| US-20050124596-A1 | Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2005-06-09 | — | — | US | disclosed |
| EP-1470127-A1 | N, N'-DIMETHYLATED N-CONFUSED PORPHYRINS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2004-10-27 | — | — | EP | disclosed |
| US-20040019095-A1 | N, N'-dimethylated N-confused porphyrins | UNIVERSITY OF BRITISH COLUMBIA (CA) | 2004-01-29 | — | — | US | disclosed |
| WO-2003064426-A1 | N, N'-DIMETHYLATED N-CONFUSED PORPHYRINS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2003-08-07 | — | — | WO | disclosed |