⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3793019 | 0.86 | — | — | |
| SCHEMBL28708315 | 0.82 | — | — | |
| SCHEMBL28547707 | 0.81 | DHODH (0.32) | — | |
| SCHEMBL28026975 | 0.78 | — | — | |
| SCHEMBL28599777 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3190944 | 0.78 | — | — | |
| SCHEMBL28518152 | 0.78 | — | — | |
| Water SCHEMBL28237488 | 0.78 | — | — | |
| Acrylic Acid SCHEMBL28430309 | 0.78 | — | — | |
| Boric Acid SCHEMBL28949539 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160280714-A1 | POLYHEDRAL CAGE-CONTAINING METALLOPORPHYRIN FRAMEWORKS, METHODS OF MAKING, AND METHODS OF USING | UNIVERSITY OF SOUTH FLORIDA (US) | 2016-09-29 | — | — | US | disclosed |
| EP-2721032-A2 | POLYHEDRAL CAGE-CONTAINING METALLOPORPHYRIN FRAMEWORKS, METHODS OF MAKING, AND METHODS OF USING | University Of South Florida (US) | 2014-04-23 | — | — | EP | disclosed |
| US-20140107333-A1 | POLYHEDRAL CAGE-CONTAINING METALLOPORPHYRIN FRAMEWORKS, METHODS OF MAKING, AND METHODS OF USING | UNIVERSITY OF SOUTH FLORIDA | 2014-04-17 | — | — | US | disclosed |
| WO-2012174379-A2 | POLYHEDRAL CAGE-CONTAINING METALLOPORPHYRIN FRAMEWORKS, METHODS OF MAKING, AND METHODS OF USING | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-12-20 | — | — | WO | disclosed |