⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17841783 | 0.71 | — | — | |
| SCHEMBL6591105 | 0.65 | — | — | |
| SCHEMBL17835440 | 0.59 | — | — | |
| SCHEMBL7608827 | 0.53 | TRPV4 (0.33) | — | |
| SCHEMBL149649 | 0.53 | TRPV4 (0.33) | — | |
| SCHEMBL13205984 | 0.51 | USP8 (0.32) | — | |
| SCHEMBL14316184 | 0.51 | — | — | |
| SCHEMBL9621476 | 0.49 | MAPK1 (0.36) | — | |
| SCHEMBL23463945 | 0.48 | TRPV4 (0.33) | — | |
| SCHEMBL415721 | 0.46 | — | — |
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 2 patents. 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 | claimed |
| 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 |