⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14016289 | 0.80 | — | — | |
| SCHEMBL25132581 | 0.80 | — | — | |
| SCHEMBL9284840 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL23545239 | 0.74 | — | — | |
| SCHEMBL24429079 | 0.74 | DNM1 (0.32) | — | |
| SCHEMBL12287587 | 0.73 | — | — | |
| SCHEMBL12784551 | 0.72 | — | — | |
| SCHEMBL22022490 | 0.71 | — | — | |
| SCHEMBL172997 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL19159078 | 0.70 | — | — |
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-3357920-A1 | BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME | Exigence Technologies Inc. (CA) | 2018-08-08 | — | — | EP | disclosed |
| US-20180086740-A1 | BIOCIDAL COATINGS AND METHODS FOR MAKING SAME | EXIGENCE TECH INC (CA) | 2018-03-29 | — | — | US | disclosed |