⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9490767 | 0.63 | — | — | |
| SCHEMBL3211275 | 0.61 | — | — | |
| SCHEMBL754914 | 0.61 | — | — | |
| SCHEMBL3143038 | 0.59 | — | — | |
| SCHEMBL11852774 | 0.53 | TSHR (0.50) | — | |
| SCHEMBL11663286 | 0.52 | KMT2A (0.46) | — | |
| SCHEMBL11029897 | 0.50 | RAB9A (0.33) | — | |
| SCHEMBL10700458 | 0.49 | NOTUM (0.35) | — | |
| SCHEMBL7202819 | 0.49 | HTR1A (0.31) | — | |
| SCHEMBL11777613 | 0.49 | — | — |
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-5208208-A | Aromatic isocyanate, imino compound, and silane-modified acrylic resin | MITSUBISHI PAPER MILLS LIMITED (JP) | 1993-05-04 | — | — | US | disclosed |