⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30776801 | 0.94 | — | — | |
| SCHEMBL29568562 | 0.67 | — | — | |
| Lithium Ion SCHEMBL31485632 | 0.67 | — | — | |
| SCHEMBL8694355 | 0.65 | — | — | |
| SCHEMBL3003358 | 0.65 | — | — | |
| SCHEMBL758943 | 0.63 | — | — | |
| SCHEMBL5576938 | 0.59 | — | — | |
| Hydrazine SCHEMBL23496608 | 0.57 | KDM4E (0.48) | — | |
| Pyromellitic Acid SCHEMBL10772528 | 0.57 | ALDH1A1 (0.47) | — | |
| Terephthalic Acid SCHEMBL11858116 | 0.57 | TSHR (0.86) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2192980-B1 | FIBROUS CATALYST | UNIV MONTFORT (GB) | 2015-04-08 | — | — | EP | claimed |
| EP-2046817-B1 | IMPROVED PROCESS FOR THE PREPARATION OF COPOLYMER-1 | MOMENTA PHARMACEUTICALS INC (US) | 2009-12-16 | — | — | EP | claimed |