⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1790430 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL21328562 | 0.73 | LTA4H (0.47) | — | |
| SCHEMBL2121426 | 0.73 | LTA4H (0.47) | — | |
| Hydrochloric Acid SCHEMBL29091986 | 0.73 | LTA4H (0.47) | — | |
| SCHEMBL6653921 | 0.71 | — | — | |
| SCHEMBL29062475 | 0.71 | — | — | |
| SCHEMBL10895746 | 0.71 | — | — | |
| SCHEMBL4547560 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31590724 | 0.69 | CA4 (0.46) | — | |
| SCHEMBL251644 | 0.69 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012054541-A2 | METHODS AND SYSTEMS FOR SYNTHESIS OF AN ULTRA HIGH MOLECULAR WEIGHT POLYMER | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2010148381-A2 | GROUP IV OLEFIN POLYMERIZATION CATALYSTS AND POLYMERIZATION METHODS | CORNELL UNIVERSITY (US) | 2010-12-23 | — | — | WO | disclosed |