⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22710007 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL10605939 | 0.77 | — | — | |
| SCHEMBL11117247 | 0.77 | — | — | |
| SCHEMBL10605937 | 0.77 | — | — | |
| SCHEMBL10598732 | 0.74 | — | — | |
| SCHEMBL10598730 | 0.74 | — | — | |
| SCHEMBL29138737 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL13661688 | 0.73 | — | — | |
| SCHEMBL15443658 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL11027442 | 0.70 | — | — |
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-3825301-A1 | XYLYLENEDIISOCYANATE COMPOSITION, XYLYLENEDIISOCYANATE-MODIFIED COMPOSITION, TWO-COMPONENT RESIN MATERIAL, AND RESIN | Mitsui Chemicals, Inc. (JP) | 2021-05-26 | — | — | EP | disclosed |
| 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 |