⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13187865 | 1.00 | — | — | |
| SCHEMBL13188250 | 1.00 | — | — | |
| SCHEMBL2903918 | 1.00 | — | — | |
| SCHEMBL767985 | 0.80 | — | — | |
| SCHEMBL801023 | 0.80 | — | — | |
| SCHEMBL12669506 | 0.80 | — | — | |
| SCHEMBL801002 | 0.80 | — | — | |
| SCHEMBL12598639 | 0.80 | — | — | |
| SCHEMBL18840134 | 0.78 | — | — | |
| SCHEMBL2521347 | 0.78 | — | — |
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-20160031909-A1 | PORPHYRAZINE OPTICAL AND DUAL OPTICAL/ MR CONTRAST AND THERAPEUTIC AGENTS | HOFFMAN BARRETT LLC (US) | 2016-02-04 | — | — | US | disclosed |
| US-6660884-B2 | Catalyst promote synthesis of tertiary alcohols with enantioselectivity; Bicyclo(2.2.1)heptane-1-methane sulfonamide-N,N'-(1S,2S)-1,2-cyclohexanediylbis(2-hydroxy-7,7-dimethyl) -(1R,1'R,2S,2'S,4S,4'S) | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2003-12-09 | — | — | US | disclosed |
| US-20030191345-A1 | CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE | 2003-10-09 | — | — | US | disclosed |