⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15533634 | 0.72 | — | — | |
| SCHEMBL6516912 | 0.69 | HTT (0.31) | — | |
| SCHEMBL3925169 | 0.69 | — | — | |
| SCHEMBL2878212 | 0.67 | — | — | |
| SCHEMBL11453949 | 0.65 | — | — | |
| SCHEMBL18053158 | 0.65 | — | — | |
| SCHEMBL3379461 | 0.65 | — | — | |
| SCHEMBL4782050 | 0.65 | HTT (0.35) | — | |
| SCHEMBL4599988 | 0.65 | — | — | |
| SCHEMBL3381596 | 0.65 | — | — |
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-7084092-B2 | Shale hydration inhibition agent and method of use | M-I L.L.C. (US) | 2006-08-01 | — | — | US | disclosed |
| US-20050049150-A1 | Shale hydration inhibition agent and method of use | M I LLC. (US) | 2005-03-03 | — | — | US | disclosed |