⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL11664467 | 0.85 | MAOA (0.35) | — | |
| SCHEMBL66015 | 0.85 | MAOA (0.37) | — | |
| SCHEMBL4168935 | 0.84 | GRM2 (0.37) | — | |
| Propylene Carbonate SCHEMBL27448559 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL533284 | 0.74 | GSTP1 (0.39) | — | |
| Succinic Acid SCHEMBL1325312 | 0.74 | HTT (0.40) | — | |
| SCHEMBL31138104 | 0.74 | MAOA (0.37) | — | |
| SCHEMBL2111856 | 0.74 | MAOA (0.37) | — | |
| SCHEMBL8781662 | 0.73 | GSTP1 (0.38) | — | |
| SCHEMBL9017382 | 0.73 | RXRA (0.40) | — |
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-5989683-A | NON-METALLIC POLYMERIC COMPOSITION OF ALLOY OF POLYCARBONATE AND ACRYLONITRILE-BUTADIENE-STYRENE TERPOLYMER OR ALLOY OF POLYCARBONATE AND POLYBUTYLENE TEREPHTHALATE | BEDFORD INDUSTRIES, INC. (US) | 1999-11-23 | — | — | US | disclosed |