⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460054 | 0.84 | TDP1 (0.38) | — | |
| SCHEMBL21753755 | 0.84 | GABRA1 (0.44) | — | |
| SCHEMBL10699613 | 0.79 | NOS2 (0.36) | — | |
| SCHEMBL4249599 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL2944444 | 0.75 | — | — | |
| Sulfuric Acid SCHEMBL3983159 | 0.74 | CA2 (0.41) | — | |
| SCHEMBL6678290 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL20210937 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL924138 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL5551238 | 0.72 | — | — |
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-1803034-A2 | HOLOGRAPHIC STORAGE MEDIUM | General Electric Company (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044243-A2 | HOLOGRAPHIC STORAGE MEDIUM | GENERAL ELECTRIC COMPANY A CORPORATION OF THE STATE OF NEW YORK (US) | 2006-04-27 | — | — | WO | disclosed |
| US-4857438-A | Photochromic system and layers produced therewith | BASF AKTIENGESELLSCHAFT (DE) | 1989-08-15 | — | — | US | disclosed |