⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL8371521 | 0.83 | — | — | |
| SCHEMBL1975264 | 0.83 | — | — | |
| Cyclopentane SCHEMBL22534486 | 0.83 | — | — | |
| Ethylenediamine SCHEMBL1562636 | 0.75 | — | — | |
| Cyclopropane SCHEMBL4456701 | 0.75 | — | — | |
| SCHEMBL28457105 | 0.75 | DPP4 (0.30) | — | |
| Aziridine SCHEMBL4113374 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL28439349 | 0.71 | — | — | |
| SCHEMBL10919545 | 0.71 | NFKB1 (0.32) | — | |
| SCHEMBL8619869 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240059899-A1 | COMPOSITE PARTICLES AND METHOD FOR PRODUCING COMPOSITE PARTICLES | DIC CORPORATION (JP) | 2024-02-22 | — | — | US | disclosed |
| EP-2380551-A1 | CURABLE COMPOSITION FOR DENTAL USE, AND COMPOSITE RESIN COMPRISING SAME | Kuraray Medical Inc. (JP) | 2011-10-26 | — | — | EP | disclosed |