⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460824 | 0.55 | — | — | |
| SCHEMBL14145136 | 0.55 | — | — | |
| SCHEMBL14580923 | 0.53 | — | — | |
| SCHEMBL57168 | 0.46 | ALDH1A1 (0.47) | — | |
| Thiocyanic Acid SCHEMBL5146115 | 0.39 | — | — | |
| Water SCHEMBL617364 | 0.36 | — | — | |
| Water SCHEMBL1498163 | 0.36 | — | — | |
| Water SCHEMBL1325168 | 0.36 | — | — | |
| Water SCHEMBL2977216 | 0.36 | — | — | |
| Water SCHEMBL7649877 | 0.36 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3034489-A1 | Substituted 1,2,3-triylidenetris(cyanomethanylylidene)) cyclopropanes for VTE, electronic devices and semiconducting materials using them | Novaled GmbH (DE) | 2016-06-22 | — | — | EP | disclosed |