⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8657695 | 0.69 | — | — | |
| SCHEMBL8658524 | 0.69 | — | — | |
| SCHEMBL1632481 | 0.69 | — | — | |
| SCHEMBL16827257 | 0.59 | — | — | |
| SCHEMBL1155811 | 0.59 | — | — | |
| SCHEMBL4069647 | 0.57 | — | — | |
| SCHEMBL29117506 | 0.57 | — | — | |
| SCHEMBL4783104 | 0.56 | — | — | |
| SCHEMBL9051999 | 0.56 | — | — | |
| SCHEMBL28679977 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0168852-B1 | AZETIDINE DERIVATIVES AND THEIR PREPARATION | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-07-26 | — | — | EP | claimed |
| CN-117203225-A | Artificial TRAP cage, use thereof and preparation method thereof | 雅盖隆大学 | 2023-12-08 | — | — | CN | disclosed |
| US-4092337-A | FLAMEPROOFING AGENTS FOR SYNTHETIC FIBERS | CIBA-GEIGY CORPORATION (US) | 1978-05-30 | — | — | US | disclosed |