⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74925 | 0.86 | — | — | |
| Alcohol SCHEMBL9685181 | 0.84 | ALDH1A1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL8346655 | 0.82 | — | — | |
| Silicate SCHEMBL10819064 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL283166 | 0.73 | ALDH1A1 (0.33) | — | |
| Ethylene Glycol SCHEMBL28070550 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL567766 | 0.71 | — | — | |
| Ethylene Glycol SCHEMBL15995529 | 0.69 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL8082558 | 0.69 | TSHR (0.56) | — | |
| Ethylene Glycol SCHEMBL9616343 | 0.69 | TSHR (0.56) | — |
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-3997501-A | PROTECTIVE COATINGS | MOBIL OIL CORPORATION (US) | 1976-12-14 | — | — | US | disclosed |
| US-3932339-A | PROTECTIVE COATINGS FOR FERROUS SURFACES, SILICATES, ZINC DUST | G. D. MCLEOD & SONS, INCORPORATED (US) | 1976-01-13 | — | — | US | disclosed |