⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7784206 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL1199933 | 0.78 | — | — | |
| SCHEMBL7885338 | 0.78 | KEAP1 (0.33) | — | |
| SCHEMBL9620593 | 0.78 | KEAP1 (0.33) | — | |
| SCHEMBL4543577 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL7885340 | 0.76 | HCAR2 (0.43) | — | |
| SCHEMBL9620594 | 0.76 | HCAR2 (0.43) | — | |
| SCHEMBL4562684 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL2879342 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2456544 | 0.71 | ELANE (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001316332-A | METHOD FOR PRODUCING DIALKYL CARBONATE | NIPPON SHOKUBAI CO LTD | 2001-11-13 | — | — | JP | disclosed |
| US-5159003-A | Alipratic disulfide ester, aroamtic hydroxy, carboxy or acyl halide agents | FERRO CORPORATION (US) | 1992-10-27 | — | — | US | disclosed |
| US-4041018-A | FOR INJECTION MOLDINGS OR EXTRUDED PIPES, FILMS, AND FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-09 | — | — | US | disclosed |