⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22725291 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL7599644 | 0.69 | — | — | |
| SCHEMBL8749785 | 0.69 | — | — | |
| SCHEMBL12350838 | 0.69 | — | — | |
| SCHEMBL12350814 | 0.67 | — | — | |
| SCHEMBL23581550 | 0.65 | — | — | |
| SCHEMBL20544104 | 0.64 | — | — | |
| SCHEMBL8368293 | 0.62 | — | — | |
| SCHEMBL3841801 | 0.62 | — | — | |
| SCHEMBL418177 | 0.62 | — | — |
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-7001972-B1 | Polyamines comprising urea groups, method for their production, and their use as hardeners for epoxide resins | BAYER AKTIENGESELLSCHAFT (DE) | 2006-02-21 | — | — | US | disclosed |
| US-6060574-A | Reactive compositions containing blocked polyisocyanates and amine-functional resins | BAYER AKTIENGESELLSCHAFT (DE) | 2000-05-09 | — | — | US | disclosed |