⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8301298 | 0.73 | — | — | |
| SCHEMBL8301300 | 0.73 | — | — | |
| SCHEMBL11667446 | 0.73 | — | — | |
| SCHEMBL15031027 | 0.73 | — | — | |
| SCHEMBL20342437 | 0.73 | — | — | |
| SCHEMBL28333164 | 0.73 | — | — | |
| SCHEMBL5461149 | 0.71 | — | — | |
| SCHEMBL9226692 | 0.71 | — | — | |
| SCHEMBL9218592 | 0.71 | — | — | |
| SCHEMBL11573273 | 0.69 | — | — |
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-101124185-A | Process for the selective hydrogenation of alkynes | CATALYTIC DISTILLATION TECH (US) | 2008-02-13 | — | — | CN | disclosed |
| EP-0044835-A1 | CATALYSED ALTERNATING COPOLYMERISATION AND PRODUCT | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1982-02-03 | — | — | EP | disclosed |
| WO-1981001289-A1 | CATALYSED ALTERNATING COPOLYMERISATION AND PRODUCT | BAMFORD C | 1981-05-14 | — | — | WO | disclosed |