⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8974884 | 0.78 | — | — | |
| SCHEMBL102902 | 0.78 | — | — | |
| SCHEMBL7817581 | 0.74 | GRIK1 (0.32) | — | |
| SCHEMBL7252386 | 0.73 | — | — | |
| SCHEMBL16994182 | 0.72 | CTSK (0.32) | — | |
| SCHEMBL3106992 | 0.71 | — | — | |
| SCHEMBL14064932 | 0.70 | — | — | |
| SCHEMBL7367362 | 0.70 | — | — | |
| SCHEMBL8819832 | 0.70 | — | — | |
| SCHEMBL146767 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106062031-B | Tetracyanoanthraquinone dimethane polymers and uses thereof | 赢创德固赛有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106062031-A | Novel tetracyanoanthraquinone dimethane polymers and uses thereof | 赢创德固赛有限公司 | 2016-10-26 | — | — | CN | disclosed |
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |