⚠ 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 | |
|---|---|---|---|---|
| Propylene Oxide SCHEMBL28860186 | 0.91 | TDP1 (0.35) | — | |
| Propylene Oxide SCHEMBL1907901 | 0.83 | — | — | |
| Propylene Oxide SCHEMBL11051700 | 0.83 | TDP1 (0.42) | — | |
| Propylene Oxide SCHEMBL27541663 | 0.81 | TDP1 (0.36) | — | |
| Propylene Oxide SCHEMBL10795929 | 0.80 | — | — | |
| Propylene Oxide SCHEMBL718358 | 0.80 | — | — | |
| Propylene Oxide SCHEMBL28564408 | 0.80 | — | — | |
| Allylamine SCHEMBL3122912 | 0.79 | — | — | |
| Propylene Oxide SCHEMBL1029128 | 0.78 | — | — | |
| Propylene Oxide SCHEMBL27562381 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105764873-B | Agricultural liquid spreading agent | 三菱化学株式会社 | 2023-08-15 | — | — | CN | disclosed |
| CN-104582899-B | Polishing agent, polishing agent kit, and method for polishing substrate | 日立化成株式会社 | 2018-11-09 | — | — | CN | disclosed |
| EP-3233737-A1 | SCALE INHIBITOR COMPOSITIONS AND METHODS OF USING | Cytec Industries Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| CN-105764873-A | Liquid spray agent for agricultural use | 日本合成化学工业株式会社 | 2016-07-13 | — | — | CN | disclosed |
| WO-2016100336-A1 | SCALE INHIBITOR COMPOSITIONS AND METHODS OF USING | CYTEC INDUSTRIES INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| CN-104582899-A | Polishing agent, polishing agent kit, and method for polishing substrate | HITACHI CHEMICAL CO LTD | 2015-04-29 | — | — | CN | disclosed |