⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL742932 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL9495145 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL10699920 | 0.64 | — | — | |
| SCHEMBL9416316 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL15612350 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL17066396 | 0.59 | — | — | |
| SCHEMBL473 | 0.57 | — | — | |
| SCHEMBL668 | 0.55 | — | — | |
| SCHEMBL1006701 | 0.54 | — | — | |
| SCHEMBL11032420 | 0.54 | — | — |
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-7261995-B2 | Nitrogen-containing organic compound, chemically amplified resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20050238993-A1 | Nitrogen-containing organic compound, chemically amplified resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. | 2005-10-27 | — | — | US | disclosed |