⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL8652271 | 1.00 | — | — | |
| SCHEMBL8651465 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL1450693 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL30420102 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL8650102 | 0.81 | — | — | |
| SCHEMBL8651540 | 0.79 | — | — | |
| SCHEMBL5696558 | 0.76 | — | — | |
| SCHEMBL9469757 | 0.75 | — | — | |
| SCHEMBL6784597 | 0.72 | — | — | |
| Carbon Monoxide SCHEMBL8651398 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0516982-B1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL IND LTD (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |