⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8292436 | 1.00 | — | — | |
| SCHEMBL1270866 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL1270865 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL18885335 | 0.72 | — | — | |
| SCHEMBL135480 | 0.69 | — | — | |
| SCHEMBL135481 | 0.69 | — | — | |
| SCHEMBL789515 | 0.69 | — | — | |
| SCHEMBL28102564 | 0.69 | TRPA1 (0.33) | — | |
| SCHEMBL134414 | 0.69 | — | — | |
| SCHEMBL16945935 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4297366-A | INSECTICIDES, MITICIDES, AND PARASITICIDES; VETERINARY MEDICINE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-27 | — | — | US | claimed |
| EP-4114177-A1 | COMPOSITIONS AND SYSTEMS FOR DISINFECTION | Markesbery Blue Pearl LLC (US) | 2023-01-11 | — | — | EP | disclosed |