⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10384331 | 0.90 | KDM4E (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL7937712 | 0.81 | ALDH1A1 (0.32) | — | |
| Thiocyanic Acid SCHEMBL9004793 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9004729 | 0.71 | CES2 (0.35) | — | |
| Fluoride Ion SCHEMBL9004749 | 0.69 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL9547759 | 0.63 | HSD11B1 (0.30) | — | |
| SCHEMBL7907713 | 0.62 | MEN1 (0.30) | — | |
| SCHEMBL8717849 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL2399293 | 0.61 | — | — | |
| Acetonitrile SCHEMBL28135292 | 0.61 | AR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5510539-A | LIQUID KETALS; LONG DARK STORAGE STABILITY | CIBA-GEIGY CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |
| US-5288917-A | Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators | CIBA-GEIGY CORPORATION (US) | 1994-02-22 | — | — | US | disclosed |
| US-4963470-A | PHOTOINITIATORS | CIBA-GEIGY CORPORATION (US) | 1990-10-16 | — | — | US | disclosed |
| US-4960746-A | A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |