⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25059941 | 0.90 | — | — | |
| SCHEMBL17299362 | 0.83 | CTSL (0.30) | — | |
| SCHEMBL7191373 | 0.77 | ALOX5 (0.31) | — | |
| SCHEMBL17299358 | 0.77 | KMT2A (0.30) | — | |
| SCHEMBL19157990 | 0.75 | CTSL (0.34) | — | |
| SCHEMBL20717853 | 0.75 | CTSL (0.34) | — | |
| SCHEMBL20717666 | 0.75 | CTSL (0.34) | — | |
| SCHEMBL11207925 | 0.73 | KDM2B (0.33) | — | |
| SCHEMBL11207923 | 0.73 | KDM2B (0.33) | — | |
| SCHEMBL19241040 | 0.73 | — | — |
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-20150344612-A1 | NON-HOT-MELT 2,4-TDI-BASED POLYURETHANE COMPOSITION BEARING NCO END GROUPS AND HAVING A LOW CONTENT OF TDI MONOMER, COMPRISING AT LEAST ONE ISOCYANATE COMPOUND OF PARTICULAR MOLAR VOLUME | BOSTIK SA (FR) | 2015-12-03 | — | — | US | disclosed |
| US-20150344614-A1 | Non-hot-melt MDI-based polyurethane composition bearing NCO end groups and having a low content of MDI monomer, comprising at least one isocyanate compound of particular molar volume | BOSTIK SA (FR) | 2015-12-03 | — | — | US | disclosed |