⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21357711 | 0.76 | — | — | |
| SCHEMBL30462983 | 0.73 | TSHR (0.46) | — | |
| Nornitrogen Mustard SCHEMBL24674 | 0.70 | — | — | |
| SCHEMBL1311496 | 0.67 | LMNA (0.38) | — | |
| Nornitrogen Mustard SCHEMBL246133 | 0.67 | — | — | |
| Nornitrogen Mustard SCHEMBL1332213 | 0.67 | — | — | |
| Nornitrogen Mustard SCHEMBL2064862 | 0.67 | — | — | |
| SCHEMBL722930 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3861975 | 0.64 | — | — | |
| SCHEMBL7278683 | 0.64 | — | — |
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-5872121-A | INSECTICIDES, MITICIDES, NEMATOCIDES, AND LARVICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1999-02-16 | — | — | US | disclosed |
| US-5700831-A | INSECTICIDE, NEMATOCIDES, MITICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1997-12-23 | — | — | US | disclosed |