⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27686298 | 0.66 | HPGD (0.42) | — | |
| SCHEMBL17924061 | 0.66 | HPGD (0.38) | — | |
| SCHEMBL3512417 | 0.64 | HPGD (0.46) | — | |
| SCHEMBL1097671 | 0.62 | CYP2A6 (0.42) | — | |
| SCHEMBL3511786 | 0.61 | KDM4E (0.38) | — | |
| SCHEMBL3128190 | 0.59 | CYP2A6 (0.36) | — | |
| SCHEMBL27610645 | 0.58 | ACP3 (0.34) | — | |
| SCHEMBL1605255 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL2008998 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL4897405 | 0.58 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6329389-B1 | HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1070054-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052875-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-21 | — | — | WO | disclosed |