⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13513271 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL10224660 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL27610300 | 0.71 | — | — | |
| SCHEMBL12039481 | 0.71 | TSHR (0.54) | — | |
| SCHEMBL587594 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL21725168 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL22592181 | 0.70 | MAPT (0.37) | — | |
| SCHEMBL8386092 | 0.69 | — | — | |
| SCHEMBL13461482 | 0.69 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL29015017 | 0.67 | TDP1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9815930-B2 | Block copolymer and associated photoresist composition and method of forming an electronic device | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2017-11-14 | — | — | US | disclosed |