⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4636245 | 0.97 | — | — | |
| SCHEMBL10079143 | 0.93 | — | — | |
| SCHEMBL11880935 | 0.86 | — | — | |
| SCHEMBL19087301 | 0.73 | NOS2 (0.35) | — | |
| SCHEMBL18494133 | 0.73 | — | — | |
| SCHEMBL13285081 | 0.73 | — | — | |
| SCHEMBL20604006 | 0.72 | — | — | |
| SCHEMBL5929221 | 0.72 | CES2 (0.42) | — | |
| SCHEMBL14023142 | 0.72 | — | — | |
| SCHEMBL532571 | 0.71 | CES2 (0.43) | — |
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-2018098226-A1 | BICYCLIC PEPTIDYL INHIBITOR OF TUMOR NECROSIS FACTOR-ALPHA | OHIO STATE INNOVATION FOUNDATION (US) | 2018-05-31 | — | — | WO | disclosed |
| US-8927587-B2 | Chemical compounds | PFIZER LIMITED (GB) | 2015-01-06 | — | — | US | disclosed |
| US-20130274243-A1 | Chemical Compounds | PFIZER LTD (GB) | 2013-10-17 | — | — | US | disclosed |
| US-20080312457-A1 | Process | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |
| US-20080293965-A1 | Process for the Dynamic Resolution of (Substituted) (R)- or (S)- Mandelic Acid | ASTRAZENECA AB (SE) | 2008-11-27 | — | — | US | disclosed |