⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27633975 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30978279 | 0.80 | — | — | |
| Ether SCHEMBL4239658 | 0.76 | NCF1 (0.35) | — | |
| Ether SCHEMBL4272997 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL436761 | 0.67 | — | — | |
| Hydrazobenzene SCHEMBL11644969 | 0.67 | ALDH1A1 (0.46) | — | |
| Hydroquinone SCHEMBL60032 | 0.65 | LTA4H (0.52) | — | |
| Hydroquinone SCHEMBL925171 | 0.65 | LTA4H (0.52) | — | |
| Hydroquinone SCHEMBL8536783 | 0.65 | LTA4H (0.52) | — | |
| SCHEMBL30443576 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2364318-A1 | CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION | Bio-Rad Laboratories, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010065514-A1 | CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION | BIO-RAD LABORATORIES, INC. (US) | 2010-06-10 | — | — | WO | disclosed |