⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259146 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL4357945 | 0.90 | ALDH1A1 (0.36) | — | |
| Ethylene Glycol SCHEMBL27885940 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL17453659 | 0.82 | TSHR (0.43) | — | |
| SCHEMBL8780035 | 0.82 | CA2 (0.30) | — | |
| SCHEMBL749982 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL8948892 | 0.82 | — | — | |
| SCHEMBL8187435 | 0.81 | — | — | |
| SCHEMBL12703069 | 0.80 | MEN1 (0.46) | — | |
| SCHEMBL16572452 | 0.80 | ALDH1A1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5723211-A | PSEUDO-BOEHEMITE | EASTMAN KODAK COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0297108-B1 | RAPID-DRYING RECORDING ELEMENT FOR LIQUID INK MARKING | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1990-08-16 | — | — | EP | disclosed |
| US-4649064-A | CROSSLINKED GELATIN | EASTMAN KODAK COMPANY (US) | 1987-03-10 | — | — | US | disclosed |