⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19665 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5860643 | 0.87 | — | — | |
| SCHEMBL4751122 | 0.80 | — | — | |
| SCHEMBL51352 | 0.80 | — | — | |
| SCHEMBL118665 | 0.80 | — | — | |
| SCHEMBL1952432 | 0.80 | — | — | |
| SCHEMBL4962709 | 0.78 | — | — | |
| Phosphoric Acid SCHEMBL1936779 | 0.76 | — | — | |
| SCHEMBL7339903 | 0.73 | — | — | |
| SCHEMBL2234461 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2536283-A1 | PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF | TransTech Pharma, Inc (US) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011103091-A1 | PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF | TRANSTECH PHARMA, INC. (US) | 2011-08-25 | — | — | WO | disclosed |