⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8978 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6120200 | 0.90 | — | — | |
| Ethylenediamine SCHEMBL18009684 | 0.85 | ALDH1A1 (0.30) | — | |
| Sulfurous Acid SCHEMBL10960841 | 0.83 | CA1 (0.32) | — | |
| Sulfurous Acid SCHEMBL10960834 | 0.83 | CA1 (0.32) | — | |
| Dimethylaminoethanol SCHEMBL9079790 | 0.81 | MAPT (0.60) | — | |
| SCHEMBL9079793 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL9079787 | 0.81 | ALDH1A1 (0.30) | — | |
| Diethanolamine SCHEMBL11458741 | 0.79 | GSR (0.32) | — | |
| SCHEMBL26291277 | 0.76 | MAPT (0.30) | — |
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-4332709-A | CURABLE EPOXY RESIN COATINGS | SHELL OIL COMPANY (US) | 1982-06-01 | — | — | US | disclosed |
| EP-0033169-A1 | Thermosetting binders, preparation and use in lacquers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-08-05 | — | — | EP | disclosed |