⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4584754 | 0.75 | — | — | |
| SCHEMBL9979790 | 0.64 | — | — | |
| SCHEMBL8014421 | 0.60 | — | — | |
| SCHEMBL9979784 | 0.58 | NQO1 (0.44) | — | |
| SCHEMBL3836801 | 0.55 | — | — | |
| SCHEMBL24459 | 0.53 | — | — | |
| SCHEMBL20698656 | 0.52 | ADORA2A (0.38) | — | |
| SCHEMBL20698663 | 0.52 | ADORA2A (0.38) | — | |
| Fluoride SCHEMBL498862 | 0.50 | — | — | |
| SCHEMBL21385109 | 0.50 | — | — |
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-9978474-B2 | Conductive open frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-05-22 | — | — | US | disclosed |
| US-20160247593-A1 | CONDUCTIVE OPEN FRAMEWORKS | UNITED STATES DEPARTMENT OF ENERGY | 2016-08-25 | — | — | US | disclosed |
| US-9269473-B2 | Conductive open frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-02-23 | — | — | US | disclosed |
| WO-2012082213-A2 | CONDUCTIVE OPEN FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-06-21 | — | — | WO | disclosed |