⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4874321 | 0.80 | — | — | |
| SCHEMBL6054656 | 0.79 | — | — | |
| Phosphonic Acid SCHEMBL7918074 | 0.77 | CA1 (0.33) | — | |
| Silver SCHEMBL32663029 | 0.75 | — | — | |
| Trifluoroethanol SCHEMBL8375448 | 0.73 | — | — | |
| SCHEMBL28323600 | 0.73 | — | — | |
| SCHEMBL8984071 | 0.71 | ALOX15 (0.30) | — | |
| Phosphonic Acid SCHEMBL1966052 | 0.71 | — | — | |
| SCHEMBL866440 | 0.71 | FAAH (0.31) | — | |
| SCHEMBL28494975 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6566015-B1 | For use in electric cars and portable electronic devices | DENSO CORPORATION (JP) | 2003-05-20 | — | — | US | disclosed |
| US-6210840-B1 | ORGANO PHOSPHONATE OR PHOSPHINATE, | DENSO CORPORATION (JP) | 2001-04-03 | — | — | US | disclosed |