⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8427497 | 0.77 | NPC1 (0.34) | — | |
| SCHEMBL5909586 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL5909623 | 0.67 | NPC1 (0.36) | — | |
| SCHEMBL4689818 | 0.65 | RAB9A (0.44) | — | |
| SCHEMBL5909707 | 0.65 | NPC1 (0.32) | — | |
| SCHEMBL5909582 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL5909649 | 0.60 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL2415480 | 0.58 | ALDH1A1 (0.44) | — | |
| SCHEMBL27965044 | 0.58 | KCNJ1 (0.47) | — | |
| SCHEMBL17394951 | 0.57 | TLR9 (0.35) | — |
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-5851239-A | Spin dyeing process with dyeing salts | DYSTAR TEXTILFARBEN GMBH & CO. (DE) | 1998-12-22 | — | — | US | disclosed |
| US-5542972-A | AQUEOUS INK FORMULATION CONTAINING REACTIVE DYE WITH CYANAMIDO GROUP, ALKALINE AGENT; STORAGE STABILITY | HOECHST AG (DE) | 1996-08-06 | — | — | US | disclosed |