⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9578299 | 0.97 | — | — | |
| SCHEMBL7696512 | 0.97 | — | — | |
| SCHEMBL4630883 | 0.97 | — | — | |
| SCHEMBL3921476 | 0.90 | — | — | |
| SCHEMBL1456098 | 0.88 | — | — | |
| SCHEMBL8186591 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL9849169 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL1456092 | 0.88 | ALDH1A1 (0.56) | — | |
| Bromide SCHEMBL15201917 | 0.85 | ALDH1A1 (0.54) | — | |
| SCHEMBL11264394 | 0.80 | ALDH1A1 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255916-A | Broad-spectrum temporary plugging agent and preparation method thereof | 中国石油化工股份有限公司 | 2024-06-28 | — | — | CN | disclosed |
| EP-1112274-A4 | CHEMILUMINESCENT 1,2-DIOXETANES | GIRI BRIJ P (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1112274-A1 | CHEMILUMINESCENT 1,2-DIOXETANES | Giri, Brij P. (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000014092-A1 | CHEMILUMINESCENT 1,2-DIOXETANES | GIRI BRIJ P (US) | 2000-03-16 | — | — | WO | disclosed |
| WO-1992007862-A1 | ANTIBIOTICS IMPROVED BY CONJUGATION WITH STEREOSPECIFIC CARBOHYDRTES AND METHODS FOR CARBOHYDRATE STEREOSELECTIVITY | YALE UNIVERSITY (US) | 1992-05-14 | — | — | WO | disclosed |