⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4009300 | 0.86 | — | — | |
| SCHEMBL11610495 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11614527 | 0.79 | MGLL (0.35) | — | |
| SCHEMBL23519568 | 0.77 | MGLL (0.34) | — | |
| SCHEMBL18883989 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL29752582 | 0.72 | ACHE (0.46) | — | |
| SCHEMBL13014856 | 0.69 | — | — | |
| SCHEMBL1776811 | 0.69 | — | — | |
| SCHEMBL13014869 | 0.69 | — | — | |
| SCHEMBL17791237 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |
| EP-0135280-B1 | NEW POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREBY | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1993-05-12 | — | — | EP | disclosed |
| US-4581429-A | Polymerization process and polymers produced thereby | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1986-04-08 | — | — | US | disclosed |
| EP-0135280-A2 | New polymerization process and polymers produced thereby | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1985-03-27 | — | — | EP | disclosed |