⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19147654 | 0.75 | — | — | |
| SCHEMBL6235833 | 0.67 | — | — | |
| SCHEMBL10018499 | 0.67 | — | — | |
| Hexane SCHEMBL1471944 | 0.64 | FAAH (0.63) | — | |
| Hexane SCHEMBL27497281 | 0.64 | TSHR (0.50) | — | |
| SCHEMBL24282405 | 0.64 | — | — | |
| SCHEMBL15828747 | 0.64 | — | — | |
| SCHEMBL2433810 | 0.64 | — | — | |
| SCHEMBL22475383 | 0.64 | — | — | |
| SCHEMBL737387 | 0.64 | — | — |
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-9828251-B2 | Silica aerogels and their preparation | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-11-28 | — | — | US | disclosed |