⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10801938 | 0.91 | MAPT (0.30) | — | |
| SCHEMBL179790 | 0.88 | — | — | |
| Methane SCHEMBL2930423 | 0.85 | MAPT (0.30) | — | |
| SCHEMBL10937377 | 0.85 | MAPT (0.30) | — | |
| SCHEMBL18833605 | 0.85 | MAPT (0.30) | — | |
| Silicate SCHEMBL6137349 | 0.76 | — | — | |
| Biphenyl SCHEMBL5290676 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL3822056 | 0.74 | — | — | |
| SCHEMBL9069042 | 0.74 | — | — | |
| Propylene Glycol SCHEMBL17106652 | 0.74 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4151158-A | Polymer composition and method of using same to produce thermostable insulating materials | AVERYANOV SERGEI V (SU) | 1979-04-24 | — | — | US | disclosed |