⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28569232 | 0.86 | — | — | |
| SCHEMBL27888074 | 0.76 | CA2 (0.35) | — | |
| SCHEMBL108629 | 0.76 | DNM1 (0.35) | — | |
| SCHEMBL9740594 | 0.75 | — | — | |
| SCHEMBL3448595 | 0.74 | — | — | |
| SCHEMBL15034704 | 0.74 | — | — | |
| SCHEMBL190160 | 0.74 | CA2 (0.34) | — | |
| Methane SCHEMBL9127523 | 0.74 | DNM1 (0.33) | — | |
| SCHEMBL13952833 | 0.74 | — | — | |
| SCHEMBL7495610 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12559452-B2 | Method for the synthesis of isocyanates | CYNIO GmbH (DE) | 2026-02-24 | — | — | US | disclosed |
| US-20230140949-A1 | METHOD FOR THE SYNTHESIS OF ISOCYANATES | TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) | 2023-05-11 | — | — | US | disclosed |
| WO-2013033310-A1 | MODULATORS OF REV-ERB | KAMENECKA THEODORE MARK (US) | 2013-03-07 | — | — | WO | disclosed |