⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17621638 | 0.78 | ACHE (0.32) | — | |
| SCHEMBL20274097 | 0.76 | HDAC3 (0.30) | — | |
| SCHEMBL11262519 | 0.71 | — | — | |
| SCHEMBL9999770 | 0.71 | — | — | |
| SCHEMBL24409321 | 0.69 | — | — | |
| SCHEMBL1115020 | 0.64 | — | — | |
| SCHEMBL256003 | 0.62 | — | — | |
| SCHEMBL13864079 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL12622560 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL8373979 | 0.60 | TSHR (0.31) | — |
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-20230312468-A1 | ANTIMICROBIAL COMPOUNDS AND NANOSTRUCTURES | THE BOEING COMPANY | 2023-10-05 | — | — | US | disclosed |
| US-9815979-B2 | Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170051145-A1 | NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME | JOHNSON & JOHNSON VISION CARE (US) | 2017-02-23 | — | — | US | disclosed |
| US-9522980-B2 | Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2016-12-20 | — | — | US | disclosed |