⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2928403 | 0.80 | — | — | |
| SCHEMBL813943 | 0.80 | — | — | |
| SCHEMBL15440362 | 0.80 | — | — | |
| Methane SCHEMBL6359894 | 0.78 | — | — | |
| SCHEMBL3806824 | 0.78 | ALDH1A1 (0.62) | — | |
| SCHEMBL3803240 | 0.78 | ALDH1A1 (0.62) | — | |
| SCHEMBL7641668 | 0.77 | ALDH1A1 (0.71) | — | |
| Acetic Acid SCHEMBL3079625 | 0.77 | ALDH1A1 (0.60) | — | |
| SCHEMBL10034082 | 0.75 | ALDH1A1 (0.48) | — | |
| Trimethylammonium SCHEMBL9578014 | 0.75 | ALDH1A1 (0.58) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3959242-A | MOLD RELEASE SURFACE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-05-25 | — | — | US | claimed |
| EP-0641460-A1 | ORGANOMETALLIC MONOMERS AND POLYMERS WITH IMPROVED ADHESION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993023794-A1 | ORGANOMETALLIC MONOMERS AND POLYMERS WITH IMPROVED ADHESION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1993-11-25 | — | — | WO | disclosed |
| US-3959242-A | MOLD RELEASE SURFACE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-05-25 | — | — | US | disclosed |