⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17549565 | 0.82 | — | — | |
| Water SCHEMBL1335153 | 0.70 | — | — | |
| Water SCHEMBL16115412 | 0.70 | — | — | |
| SCHEMBL28797694 | 0.70 | — | — | |
| Water SCHEMBL10918338 | 0.70 | LOX (0.50) | — | |
| SCHEMBL59142 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL116850 | 0.67 | — | — | |
| SCHEMBL30900649 | 0.67 | — | — | |
| Bromide SCHEMBL21357333 | 0.67 | — | — | |
| SCHEMBL29659381 | 0.67 | — | — |
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-8168802-B2 | Ring closing and related methods and intermediates | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110269965-A1 | Ring Closing and Related Methods and Intermediates | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2011-11-03 | — | — | US | disclosed |