⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9119539 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL9120885 | 0.72 | — | — | |
| SCHEMBL11411161 | 0.71 | — | — | |
| SCHEMBL9182473 | 0.71 | — | — | |
| SCHEMBL1736517 | 0.71 | — | — | |
| SCHEMBL7434527 | 0.71 | — | — | |
| SCHEMBL7434538 | 0.71 | — | — | |
| SCHEMBL11841010 | 0.71 | — | — | |
| SCHEMBL11573393 | 0.71 | — | — | |
| SCHEMBL7441577 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5698718-A | REACTING HALOGEN-SUBSTITUTED VICINAL DIOL WITH ALDEHYDE OR KETONE TO FORM HALO ANALOG OF THE PRODUCT, WHICH IS REACTED WITH METAL AZIDE | AEROJET-GENERAL CORPORATION (US) | 1997-12-16 | — | — | US | disclosed |
| US-5243057-A | Plasticizer for propellants and explosives | AEROJET-GENERAL CORPORATION (US) | 1993-09-07 | — | — | US | disclosed |