⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL322926 | 0.84 | TDP1 (0.33) | — | |
| Lactic Acid SCHEMBL28444410 | 0.83 | TP53 (0.48) | — | |
| Propylene Glycol SCHEMBL28636759 | 0.79 | TDP1 (0.50) | — | |
| SCHEMBL1793189 | 0.77 | — | — | |
| SCHEMBL10340673 | 0.77 | — | — | |
| SCHEMBL24835632 | 0.76 | HSD17B10 (0.43) | — | |
| SCHEMBL28601727 | 0.76 | GABRR1 (0.33) | — | |
| SCHEMBL3096124 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL15930 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL28101808 | 0.75 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100326-B1 | BASE-TRIGGERED RELEASE MICROCAPSULES | SYNGENTA LTD (GB) | 2003-04-23 | — | — | EP | disclosed |
| US-6544540-B2 | Amino resin walls | SYNGENTA LIMITED (GB) | 2003-04-08 | — | — | US | disclosed |
| US-20020037306-A1 | Base-triggered release microcapsules | SYNGENTA, LTD. (GB) | 2002-03-28 | — | — | US | disclosed |
| US-20020004059-A1 | BASE-TRIGGERED RELEASE MICROCAPSULES | SYNGENTA LIMITED (GB) | 2002-01-10 | — | — | US | disclosed |
| EP-1100326-A1 | BASE-TRIGGERED RELEASE MICROCAPSULES | Syngenta Limited (GB) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000005951-A1 | BASE-TRIGGERED RELEASE MICROCAPSULES | SYNGENTA LIMITED (GB) | 2000-02-10 | — | — | WO | disclosed |