⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130892 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL10507925 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL1126892 | 0.79 | — | — | |
| SCHEMBL10936347 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL28446556 | 0.77 | — | — | |
| SCHEMBL8527853 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL6516410 | 0.76 | — | — | |
| SCHEMBL2324444 | 0.75 | KMT2A (0.31) | — | |
| SCHEMBL749895 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL1081546 | 0.73 | ALDH1A1 (0.31) | — |
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-6794475-B1 | Antistatic polymers, blends, and articles | NOVEON IP HOLDINGS CORP. | 2004-09-21 | — | — | US | disclosed |
| US-6319988-B1 | LIVING BLOCK POLYMER FROM HYDROXY-FUNCTIONAL UNSATURATED MONOMERS AND OTHER MONOMERS ENDCAPPED WITH SULFONYL HALIDE OR A DIETHYL MALONATE (PREFERABLY A-HALO-SUBSTITUTED); BLOCKED POLYISOCYANATE CROSSLINKING AGENT; LOWER VISCOSITIES | PPG INDUSTRIES OHIO, INC. | 2001-11-20 | — | — | US | disclosed |