⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL7045644 | 0.81 | GPR3 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7115555 | 0.79 | METAP2 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6256102 | 0.75 | KCNH2 (0.41) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7043946 | 0.73 | MAPT (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7051082 | 0.72 | KMT2A (0.45) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7049432 | 0.72 | NPC1 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7049408 | 0.71 | MAPT (0.34) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7047547 | 0.70 | MEN1 (0.35) | — | |
| SCHEMBL7047836 | 0.70 | PDE10A (0.43) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7048911 | 0.70 | TP53 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609885-B1 | Acridinium compounds and conjugates thereof | MOCHIDA PHARM CO LTD (JP) | 2003-04-16 | — | — | EP | disclosed |
| US-5594112-A | CHEMILUMINESCENCE LABEL | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| US-5438139-A | Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1995-08-01 | — | — | US | disclosed |
| EP-0609885-A1 | Acridinium compounds and conjugates thereof | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-10 | — | — | EP | disclosed |