⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455392 | 0.73 | — | — | |
| SCHEMBL9960504 | 0.64 | — | — | |
| Cyclohexane SCHEMBL9227267 | 0.64 | DGAT1 (0.37) | — | |
| Cyclopentane SCHEMBL27520064 | 0.64 | DGAT1 (0.37) | — | |
| SCHEMBL27766895 | 0.64 | DGAT1 (0.37) | — | |
| Cyclopropane SCHEMBL27493733 | 0.64 | DGAT1 (0.37) | — | |
| SCHEMBL27879014 | 0.61 | — | — | |
| SCHEMBL8283846 | 0.60 | DPP4 (0.35) | — | |
| SCHEMBL28453083 | 0.60 | — | — | |
| SCHEMBL243441 | 0.60 | NPSR1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0952170-B1 | Aqueous coating system from UV-curing isocyanate groups containing urethane(meth)acrylisocyanates | BAYER MATERIALSCIENCE AG (DE) | 2004-12-22 | — | — | EP | disclosed |
| US-6335381-B1 | AQUEOUS COATING COMPOSITION COMPRISING REACTION PRODUCT OF POLYISOCYANATE AND MONOHYDRIC ALCOHOL HAVING (METH)ACRYLOYL GROUPS, ULTRAVIOLET RADIATION INITIATOR WHICH INITIATES POLYMERIZATION BY FREE RADICAL MECHANISM, REACTIVE BINDER | BAYER AKTIENGESELLSCHAFT (DE) | 2002-01-01 | — | — | US | disclosed |
| EP-0952170-A1 | Aqueous coating system from UV-curing isocyanate groups containing urethane(meth)acrylisocyanates | BAYER AG (DE) | 1999-10-27 | — | — | EP | disclosed |