⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1908110 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL27785624 | 0.75 | — | — | |
| SCHEMBL18973990 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL8443596 | 0.73 | — | — | |
| SCHEMBL613409 | 0.73 | — | — | |
| SCHEMBL29852203 | 0.71 | — | — | |
| SCHEMBL761674 | 0.71 | — | — | |
| SCHEMBL13914366 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL6445227 | 0.71 | — | — | |
| SCHEMBL8999311 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11136311-B2 | Heteroaromatic derivatives as NIK inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2021-10-05 | — | — | US | disclosed |
| EP-0563328-B1 | Tc(III)-99m MYOCARDIAL IMAGING AGENTS AND METHOD OF USE | MALLINCKRODT MEDICAL INC (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0563328-A1 | ?99m Tc(III) MYOCARDIAL IMAGING AGENTS AND METHOD OF USE | MALLINCKRODT MEDICAL, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992011040-A2 | 99mTc(III) MYOCARDIAL IMAGING AGENTS AND METHOD OF USE | MALLINCKRODT MEDICAL, INC. (US) | 1992-07-09 | — | — | WO | disclosed |
| US-5112595-A | Diaminoalkyldifuranones and phosphine ligands with technetium for imaging | MALLINCKRODT MEDICAL, INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5112594-A | Diaminoalkyldifuranones and phosphine ligands with technetium for imaging | MALLINCKRODT MEDICAL, INC. (US) | 1992-05-12 | — | — | US | disclosed |