⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11443950 | 0.89 | — | — | |
| SCHEMBL9810768 | 0.81 | — | — | |
| SCHEMBL11404598 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL10786676 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL7878266 | 0.76 | — | — | |
| SCHEMBL7884916 | 0.73 | — | — | |
| SCHEMBL28465410 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL9810808 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL5940456 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL23781420 | 0.70 | TSHR (0.40) | — |
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-4230816-A | Thiofunctional polysiloxane polymers | SWS SILICONES CORPORATION (US) | 1980-10-28 | — | — | US | disclosed |
| US-4046795-A | Process for preparing thiofunctional polysiloxane polymers | SWS SILICONES CORPORATION (US) | 1977-09-06 | — | — | US | disclosed |