⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL14720941 | 0.95 | — | — | |
| SCHEMBL5872457 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL27888916 | 0.65 | CA1 (0.41) | — | |
| Bromide SCHEMBL29142804 | 0.62 | CA1 (0.39) | — | |
| SCHEMBL41646 | 0.61 | CA1 (0.43) | — | |
| SCHEMBL7702552 | 0.61 | CA1 (0.43) | — | |
| Bromide SCHEMBL3827622 | 0.60 | — | — | |
| SCHEMBL8161092 | 0.59 | — | — | |
| SCHEMBL9577046 | 0.59 | CHRNB2 (0.31) | — | |
| SCHEMBL23589702 | 0.58 | CA1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998022541-A2 | METHOD FOR COATING SUBSTRATES | IKONOS CORPORATION (US) | 1998-05-28 | — | — | WO | disclosed |
| WO-1998022542-A2 | CHEMICAL FUNCTIONALIZATION OF SURFACES | IKONOS CORPORATION (US) | 1998-05-28 | — | — | WO | disclosed |
| EP-0680623-A4 | CHEMICAL FUNCTIONALIZATION OF SURFACES. | OREGON STATE (US) | 1996-07-24 | — | — | EP | disclosed |
| EP-0680623-A1 | CHEMICAL FUNCTIONALIZATION OF SURFACES | THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATEBOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017447-A1 | CHEMICAL FUNCTIONALIZATION OF SURFACES | THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) | 1994-08-04 | — | — | WO | disclosed |