⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7156838 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL7120600 | 0.93 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7122676 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7113795 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL7118469 | 0.77 | DPP4 (0.36) | — | |
| SCHEMBL7114870 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7117796 | 0.73 | DPP4 (0.36) | — | |
| SCHEMBL11037957 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL7118706 | 0.71 | DPP4 (0.37) | — | |
| SCHEMBL24230035 | 0.68 | EPHX1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030207865-A1 | Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents | DIXON BRIAN R (US) | 2003-11-06 | — | — | US | disclosed |
| US-6353006-B1 | TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT | BAYER CORPORATION | 2002-03-05 | — | — | US | disclosed |
| EP-1144396-A2 | SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS | Bayer Corporation (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042031-A2 | SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS | BAYER CORPORATION (US) | 2000-07-20 | — | — | WO | disclosed |