⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148912 | 0.89 | — | — | |
| SCHEMBL30495494 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL29099790 | 0.86 | — | — | |
| SCHEMBL29165411 | 0.86 | — | — | |
| SCHEMBL30423196 | 0.86 | — | — | |
| Methoxymethane SCHEMBL11545279 | 0.80 | — | — | |
| Oxirane SCHEMBL27671739 | 0.75 | — | — | |
| Acetic Acid SCHEMBL11223720 | 0.75 | FFAR3 (0.41) | — | |
| Propanol SCHEMBL31488643 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL8516943 | 0.71 | — | — |
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-6427599-B1 | AUTOMOBILE AIR BAGS; DECOY FLARES | BAE SYSTEMS INTEGRATED DEFENSE SOLUTIONS INC. | 2002-08-06 | — | — | US | disclosed |