⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4598586 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL10441530 | 0.71 | — | — | |
| SCHEMBL1177773 | 0.71 | — | — | |
| SCHEMBL18938764 | 0.65 | — | — | |
| SCHEMBL1177771 | 0.59 | — | — | |
| SCHEMBL3525558 | 0.53 | — | — | |
| SCHEMBL332154 | 0.53 | — | — | |
| SCHEMBL1156793 | 0.51 | GPR35 (0.41) | — | |
| SCHEMBL21578120 | 0.47 | — | — | |
| SCHEMBL7253177 | 0.47 | ESR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6515144-B2 | In the form of a helix which contains five-membered rings unsaturated heterocycles that are cross-conjugated and annelated into a helix | THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2003-02-04 | — | — | US | disclosed |
| US-20020193611-A1 | OLIGOTHIOPHENES AND SYNTHESIS THEREOF | NATIONAL SCIENCE FOUNDATION | 2002-12-19 | — | — | US | disclosed |