⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453248 | 0.67 | PKM (0.39) | — | |
| SCHEMBL7523442 | 0.65 | — | — | |
| Trichloroacetic Acid SCHEMBL4406386 | 0.63 | ALDH1A1 (0.71) | — | |
| SCHEMBL28453808 | 0.61 | — | — | |
| SCHEMBL8009418 | 0.61 | — | — | |
| Trichloroacetic Acid SCHEMBL10493657 | 0.60 | TSHR (1.00) | — | |
| Trichloroacetic Acid SCHEMBL10745837 | 0.60 | — | — | |
| Trichloroacetic Acid SCHEMBL1331955 | 0.60 | — | — | |
| Trichloroacetic Acid SCHEMBL38661501 | 0.60 | — | — | |
| Trichloroacetic Acid SCHEMBL5311061 | 0.60 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0422176-B1 | STARCH DERIVATIVES AND THEIR USE IN THE PRODUCTION OF BIOLOGICALLY DEGRADABLE PLASTICS | INVENTA AG (CH) | 1996-02-14 | — | — | EP | claimed |
| US-5374304-A | Modifyig with formamide and dichloroacetic acid; casting films and sheets mixed with plasticizer; flexible, transparent | BATTELLE-INSTITUT E.V. (DE) | 1994-12-20 | — | — | US | disclosed |