⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9857487 | 0.72 | — | — | |
| SCHEMBL29131749 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL74197 | 0.66 | — | — | |
| SCHEMBL9799630 | 0.64 | — | — | |
| SCHEMBL866 | 0.61 | — | — | |
| SCHEMBL62713 | 0.61 | — | — | |
| SCHEMBL1221821 | 0.61 | — | — | |
| Dichlorodifluoromethane SCHEMBL10828892 | 0.59 | TSHR (0.43) | — | |
| Dichlorodifluoromethane SCHEMBL485 | 0.59 | — | — | |
| SCHEMBL8132063 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417558-A2 | S-haloalkyl(di)(tri)(thio)phosphoric(phosphonic)acid(amide) esters | BAYER AG (DE) | 1991-03-20 | — | — | EP | disclosed |