⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3917307 | 0.68 | — | — | |
| SCHEMBL11267325 | 0.68 | — | — | |
| SCHEMBL3917202 | 0.66 | — | — | |
| SCHEMBL2326221 | 0.64 | — | — | |
| 1,2-Dichloroethane SCHEMBL2366389 | 0.62 | ALDH1A1 (0.42) | — | |
| Methylene Chloride SCHEMBL1778622 | 0.59 | — | — | |
| SCHEMBL25101435 | 0.59 | — | — | |
| SCHEMBL28540355 | 0.59 | — | — | |
| SCHEMBL29175394 | 0.57 | — | — | |
| SCHEMBL17320073 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4332612-A | N-METHYL-2-PYRROLIDONE AND A HALOALKYL SILANE | GAF CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |