⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6322598 | 0.61 | — | — | |
| SCHEMBL14154366 | 0.59 | — | — | |
| SCHEMBL14374971 | 0.57 | MAPK1 (0.32) | — | |
| SCHEMBL10732479 | 0.51 | — | — | |
| SCHEMBL10735715 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL8886411 | 0.50 | — | — | |
| SCHEMBL10919946 | 0.50 | CA12 (0.37) | — | |
| SCHEMBL36250 | 0.50 | MAPT (0.39) | — | |
| SCHEMBL1591924 | 0.49 | PDE7A (0.31) | — | |
| SCHEMBL11377290 | 0.48 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4418211-A | Preparation of trans-cyclohexane-1,4-disulphonyl urea | AKZONA INCORPORATED (US) | 1983-11-29 | — | — | US | claimed |
| US-4486603-A | Preparation of trans cyclohexane 1,4-diamine | AKZONA INCORPORATED (US) | 1984-12-04 | — | — | US | disclosed |
| US-4486603-A | Preparation of trans cyclohexane 1,4-diamine | AKZONA INCORPORATED (US) | 1984-12-04 | — | — | US | disclosed |
| US-4467114-A | Preparation of trans cyclohexane 1,4-diurea | AKZONA INCORPORATED (US) | 1984-08-21 | — | — | US | disclosed |
| US-4467114-A | Preparation of trans cyclohexane 1,4-diurea | AKZONA INCORPORATED (US) | 1984-08-21 | — | — | US | disclosed |
| US-4457871-A | Preparation of trans cyclohexane,1,4-diisocyanate and related compounds | AKZONA INCORPORATED (US) | 1984-07-03 | — | — | US | disclosed |
| US-4457871-A | Preparation of trans cyclohexane,1,4-diisocyanate and related compounds | AKZONA INCORPORATED (US) | 1984-07-03 | — | — | US | disclosed |
| US-4439370-A | Preparation of trans cyclohexane 1,4-diisocyanate | AKZONA INCORPORATED (US) | 1984-03-27 | — | — | US | disclosed |
| US-4439370-A | Preparation of trans cyclohexane 1,4-diisocyanate | AKZONA INCORPORATED (US) | 1984-03-27 | — | — | US | disclosed |
| US-4418211-A | Preparation of trans-cyclohexane-1,4-disulphonyl urea | AKZONA INCORPORATED (US) | 1983-11-29 | — | — | US | disclosed |
| US-4418211-A | Preparation of trans-cyclohexane-1,4-disulphonyl urea | AKZONA INCORPORATED (US) | 1983-11-29 | — | — | US | disclosed |
| US-4418211-A | Preparation of trans-cyclohexane-1,4-disulphonyl urea | AKZONA INCORPORATED (US) | 1983-11-29 | — | — | US | disclosed |
| US-4275223-A | Preparation of trans-cyclohexane-1,4-diurethanes | AKZONA INCORPORATED (US) | 1981-06-23 | — | — | US | disclosed |
| US-4275223-A | Preparation of trans-cyclohexane-1,4-diurethanes | AKZONA INCORPORATED (US) | 1981-06-23 | — | — | US | disclosed |
| US-4203916-A | Preparation of trans cyclohexane 1,4 diisocyanate | AKZONA INCORPORATED (US) | 1980-05-20 | — | — | US | disclosed |
| US-4203916-A | Preparation of trans cyclohexane 1,4 diisocyanate | AKZONA INCORPORATED (US) | 1980-05-20 | — | — | US | disclosed |