⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10553148 | 0.94 | ALDH1A1 (0.41) | — | |
| SCHEMBL8059653 | 0.86 | — | — | |
| SCHEMBL11137962 | 0.78 | — | — | |
| SCHEMBL14401832 | 0.75 | — | — | |
| SCHEMBL16691034 | 0.75 | — | — | |
| SCHEMBL9935099 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11201539 | 0.73 | — | — | |
| SCHEMBL16760275 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL11018120 | 0.71 | — | — | |
| SCHEMBL28224018 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0990641-B1 | Process for the synthesis of alpha-substituted ring systems | BAYER CHEMICALS AG (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6235925-B1 | RING CLOSURE METHATHESIS AND NOBLE METAL CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-05-22 | — | — | US | disclosed |
| EP-0728750-B1 | 1-Cycloalkenyltetrazolinones | BAYER AGROCHEM KK (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0990641-A1 | Process for the synthesis of alpha-substituted ring systems | Bayer Aktiengesellschaft (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5654257-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0728750-A1 | 1-Cycloalkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-08-28 | — | — | EP | disclosed |
| US-4843090-A | CONTROLLING FUSARIUM DISEASES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-06-27 | — | — | US | disclosed |
| EP-0208059-A1 | Soil fungicidal benzimidazoles | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-01-14 | — | — | EP | disclosed |
| US-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4220658-A | Treatment of hypertension with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-02 | — | — | US | disclosed |