⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8733627 | 1.00 | — | — | |
| SCHEMBL586254 | 0.82 | — | — | |
| SCHEMBL1130559 | 0.82 | — | — | |
| SCHEMBL25929238 | 0.82 | ALDH1A1 (0.55) | — | |
| SCHEMBL12973054 | 0.82 | — | — | |
| SCHEMBL28856409 | 0.79 | — | — | |
| SCHEMBL6646944 | 0.78 | ALDH1A1 (0.50) | — | |
| Acetic Acid SCHEMBL30957047 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL6646941 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL10988448 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-0826803-A2 | Biodegradable polyester fiber | Takasago International Corporation (JP) | 1998-03-04 | — | — | EP | disclosed |
| US-4645863-A | REACTING CONJUGATED IDENE WITH WATER AND/OR AQUEOUS CARBOXYLIC ACID USING ION EXCHANGER AND POLAR APROTIC SOLVENT IN HOMOGENEOUS PHASE | BASF AKTIENGESELLSCHAFT (DE) | 1987-02-24 | — | — | US | disclosed |