⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8882182 | 0.80 | — | — | |
| SCHEMBL10564621 | 0.77 | — | — | |
| SCHEMBL28062283 | 0.69 | — | — | |
| SCHEMBL17221864 | 0.69 | — | — | |
| SCHEMBL11095693 | 0.69 | — | — | |
| SCHEMBL9843847 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11070125 | 0.68 | — | — | |
| SCHEMBL11124085 | 0.67 | GAA (0.49) | — | |
| SCHEMBL28073190 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7317989 | 0.61 | HRH3 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001973-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006433-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| US-5091387-A | Spirocyclic oxytocin antagonists | MERCK & CO., INC. (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0450761-A1 | Spirocyclic oxytocin antagonists | MERCK & CO. INC. (US) | 1991-10-09 | — | — | EP | disclosed |
| US-4880932-A | PLANT GROWTH REGULATORS, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-14 | — | — | US | disclosed |
| US-4844730-A | PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
| US-4797484-A | REACTING GUANIDINE DERIVATIVE WITH SULPHONYL HALIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1989-01-10 | — | — | US | disclosed |
| US-4743294-A | N'-(substituted-1,3,5-triazin-2-yl)-N\"-amino-N\"'-(substituted-benzenesulphonyl)-guanidines as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-10 | — | — | US | disclosed |
| US-4725305-A | PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-02-16 | — | — | US | disclosed |
| US-4725303-A | N'-(substituted-pyrimidin-2-yl)-N\"-amino-N\"'-(substituted-benzenesulphonyl)-guanidines as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1988-02-16 | — | — | US | disclosed |
| US-4721785-A | FOR THE 2-GUANIDINE DERIVATIVE HERBICIDE PRODUCTS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-01-26 | — | — | US | disclosed |
| US-4602938-A | N'-(substituted-pyrimidin-2-yl)-N\"-substituted-N\",N\"'-bis-(substituted-benzenesulphonyl)-guanidines as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-29 | — | — | US | disclosed |