⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL11784651 | 0.93 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL1009264 | 0.93 | — | — | |
| Benzaldehyde SCHEMBL11784656 | 0.93 | ALDH1A1 (0.93) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11060587-A | — | — | None | — | — | JP | disclosed |
| US-6326443-B1 | COORDINATION POLYMERIZATION CATALYST | SHOWA DENKO K.K. (JP) | 2001-12-04 | — | — | US | disclosed |
| EP-0931797-A1 | PROCESS FOR PREPARING ETHYLENE POLYMER AND CATALYST USED THEREFOR | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1999-07-28 | — | — | EP | disclosed |
| EP-0763550-B1 | Ethylenic polymerization catalyst | SHOWA DENKO KK (JP) | 1999-05-06 | — | — | EP | disclosed |
| JP-H1160587-A | ASYMMETRIC SYNTHESIS OF MACROCARPALS | RES DEV CORP OF JAPAN | 1999-03-02 | — | — | JP | disclosed |
| US-5723399-A | CHROMIUM COMPOUND, ALUMOXANE, TRANSITION METAL COMPOUND | SHOWA DENKO K.K. (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0763550-A1 | Ethylenic polymerization catalyst | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1997-03-19 | — | — | EP | disclosed |