⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12027691 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL19901528 | 0.72 | — | — | |
| SCHEMBL775818 | 0.71 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL15494144 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL7434659 | 0.69 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL3147895 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL13798757 | 0.69 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL4864614 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6633558 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL29187423 | 0.67 | SMN1; SMN2 (0.32) | — |
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-9904169-B2 | Photomask blank, resist pattern forming process, and method for making photomask | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-02-27 | — | — | US | disclosed |