⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11366383 | 0.81 | HCAR2 (0.52) | — | |
| SCHEMBL11361211 | 0.81 | HCAR2 (0.52) | — | |
| SCHEMBL7598652 | 0.80 | — | — | |
| SCHEMBL7598644 | 0.80 | — | — | |
| SCHEMBL128683 | 0.78 | — | — | |
| SCHEMBL2936276 | 0.77 | — | — | |
| SCHEMBL2126466 | 0.76 | — | — | |
| SCHEMBL11208939 | 0.74 | — | — | |
| SCHEMBL6591534 | 0.74 | — | — | |
| SCHEMBL7965368 | 0.74 | HCAR2 (0.34) | — |
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-7105109-B2 | Latent mercaptans as stabilizers for halogen-containing polymer compositions | ROHM AND HAAS COMPANY (US) | 2006-09-12 | — | — | US | disclosed |
| US-20040143044-A1 | Latent mercaptans as stabilizers for halogen-containing polymer compositions | PMC CINCINNATI, INC. | 2004-07-22 | — | — | US | disclosed |