⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1269042 | 0.96 | — | — | |
| SCHEMBL4851111 | 0.96 | — | — | |
| SCHEMBL5836623 | 0.96 | — | — | |
| Carbamic Acid SCHEMBL11289771 | 0.80 | ACHE (0.37) | — | |
| Carbamic Acid SCHEMBL11289777 | 0.80 | ACHE (0.37) | — | |
| SCHEMBL10934768 | 0.76 | POLB (0.35) | — | |
| SCHEMBL22450947 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL11373067 | 0.71 | — | — | |
| SCHEMBL11373069 | 0.71 | — | — | |
| SCHEMBL22213885 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063497-A | BASED ON EPOXY RESINS HAVING 1,2-EPOXIDE GROUPS AND HYDROXYL GROUP(S) IN THE RESIN, AND CURING AGENTS INCLUDING POLYISOCYANATES BLOCKED WITH INERT AGENTS AND CYCLIC AMIDINE(S) OF GIVEN FORMULA; HEAT STABILITY, SOLVENT RESISTANT | HUELS AKTIENGESELLSCHAFT (DE) | 2000-05-16 | — | — | US | disclosed |