⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9550312 | 0.83 | — | — | |
| SCHEMBL9631621 | 0.80 | GRM4 (0.45) | — | |
| SCHEMBL9752290 | 0.79 | GRM4 (0.49) | — | |
| SCHEMBL9752292 | 0.79 | GRM4 (0.49) | — | |
| SCHEMBL29012798 | 0.74 | — | — | |
| SCHEMBL20876415 | 0.74 | — | — | |
| SCHEMBL22546507 | 0.74 | — | — | |
| SCHEMBL1076013 | 0.74 | — | — | |
| SCHEMBL9550446 | 0.71 | — | — | |
| SCHEMBL28236109 | 0.71 | CHRNB2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5216173-A | Curing agents for epoxy resins; polyimides | HENKEL RESEARCH CORPORATION (US) | 1993-06-01 | — | — | US | disclosed |
| WO-1991001307-A2 | N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF | HENKEL RESEARCH CORPORATION (US) | 1991-02-07 | — | — | WO | disclosed |