⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24760635 | 0.74 | — | — | |
| SCHEMBL12951473 | 0.71 | — | — | |
| SCHEMBL6068364 | 0.71 | — | — | |
| SCHEMBL10934258 | 0.69 | — | — | |
| SCHEMBL7126311 | 0.69 | — | — | |
| SCHEMBL333626 | 0.69 | — | — | |
| SCHEMBL16050922 | 0.69 | — | — | |
| SCHEMBL13446183 | 0.69 | — | — | |
| SCHEMBL11971066 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL8058333 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616762-A | Process for the preparation of 3-halo-and pseudohalo-alkylsilane esters | HUELS AKTIENGESELLSCHAFT (DE) | 1997-04-01 | — | — | US | disclosed |
| US-4548812-A | COMPLEX OF HEXAMETHYLENE TETRAMINE WITH HALOGENATED ALLYL HALIDE | FOLEY LARY L | 1985-10-22 | — | — | US | disclosed |
| US-4456722-A | SKIN DISORDERS | FOLEY LARY L | 1984-06-26 | — | — | US | disclosed |