⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20077531 | 0.83 | — | — | |
| SCHEMBL21790487 | 0.82 | — | — | |
| SCHEMBL24031204 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL20340973 | 0.78 | LMNA (0.40) | — | |
| SCHEMBL21924104 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL24177652 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL24177400 | 0.68 | — | — | |
| SCHEMBL19147718 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL23783550 | 0.65 | — | — | |
| SCHEMBL8351014 | 0.65 | — | — |
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-9771452-B2 | Plastic composition comprising a polycarbonate made from low sulfur bisphenol A, and articles made therefrom | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2017-09-26 | — | — | US | disclosed |
| US-9574149-B2 | Fuel additive for improved performance of direct fuel injected engines | AFTON CHEMICAL CORPORATION (US) | 2017-02-21 | — | — | US | disclosed |