⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7747372 | 0.97 | LMNA (0.40) | — | |
| SCHEMBL5320548 | 0.84 | LMNA (0.48) | — | |
| Hydrochloric Acid SCHEMBL6339249 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL6821345 | 0.80 | MAPT (0.56) | — | |
| SCHEMBL8773549 | 0.80 | MAPT (0.56) | — | |
| SCHEMBL6252065 | 0.80 | MAPT (0.56) | — | |
| SCHEMBL6659284 | 0.79 | GABRR1 (0.52) | — | |
| SCHEMBL6659276 | 0.79 | GABRR1 (0.52) | — | |
| SCHEMBL6659278 | 0.79 | GABRR1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL6848395 | 0.79 | MAPT (0.54) | — |
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 |
| WO-2001036367-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |
| WO-2001036372-A1 | ORGANIC COMPOUNDS AND THEIR USE IN THE CONTROL OF ECTOPARASITES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |