⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6534653 | 0.95 | — | — | |
| SCHEMBL30874993 | 0.95 | — | — | |
| SCHEMBL37921 | 0.95 | — | — | |
| SCHEMBL7593832 | 0.90 | — | — | |
| Water SCHEMBL11593864 | 0.90 | — | — | |
| Bromide SCHEMBL8432007 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL1122022 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5838863 | 0.90 | — | — | |
| SCHEMBL31401982 | 0.90 | — | — | |
| Bromide SCHEMBL17255830 | 0.90 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5087609-A | Hydrolysis of organometallic compounds | AKZO NV (NL) | 1992-02-11 | — | — | US | claimed |
| US-5087609-A | Hydrolysis of organometallic compounds | AKZO NV (NL) | 1992-02-11 | — | — | US | disclosed |
| US-5034248-A | Bis(aminoalkoxy) and bis(alkylaminoalkoxy)copper(II) solutions, preparation and use | AKZO AMERICA INC. (US) | 1991-07-23 | — | — | US | disclosed |
| EP-0369533-A2 | Solubilized metal alkoxides in alkoxyalkanol solvent | AKZO N.V. (NL) | 1990-05-23 | — | — | EP | disclosed |