⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17994099 | 0.88 | — | — | |
| SCHEMBL20987853 | 0.86 | ODC1 (0.32) | — | |
| SCHEMBL19135701 | 0.83 | — | — | |
| SCHEMBL22301042 | 0.82 | — | — | |
| SCHEMBL19135702 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL21610883 | 0.79 | ODC1 (0.30) | — | |
| SCHEMBL26751242 | 0.78 | — | — | |
| SCHEMBL8165469 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL29300445 | 0.74 | ODC1 (0.35) | — | |
| SCHEMBL10100190 | 0.74 | ODC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170275305-A1 | METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR | SHINETSU CHEMICAL CO (JP) | 2017-09-28 | — | — | US | disclosed |
| US-9708350-B2 | Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-07-18 | — | — | US | disclosed |