⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79570 | 0.93 | — | — | |
| SCHEMBL12216598 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL1325431 | 0.90 | ALDH1A1 (0.40) | — | |
| Acetone SCHEMBL5322641 | 0.87 | LMNA (0.38) | — | |
| Acetic Acid SCHEMBL6444296 | 0.87 | FFAR3 (0.44) | — | |
| Isobutyraldehyde SCHEMBL9511592 | 0.86 | — | — | |
| Alcohol SCHEMBL15334391 | 0.84 | ALDH1A1 (0.35) | — | |
| Methylene Chloride SCHEMBL28142557 | 0.80 | — | — | |
| Propanol SCHEMBL15333017 | 0.80 | AKR1B1 (0.32) | — | |
| Propionaldehyde SCHEMBL3828885 | 0.78 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2657240-A1 | Silicon compound, silicon-containing compound, composition for forming resits underlayer film containing the same and patterning process | Shin-Etsu Chemical Co., Ltd. (JP) | 2013-10-30 | — | — | EP | disclosed |
| US-20130280912-A1 | SILICON COMPOUND, SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING RESIST UNDERLAYER FILM CONTAINING THE SAME AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-10-24 | — | — | US | disclosed |
| US-6156908-A | Procedure for the manufacture of 3-amino-2-oxo-pyrrolidines, new intermediates and their use | ROHM GESELLSCHAFT, GMBH (DE) | 2000-12-05 | — | — | US | disclosed |