⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2787130 | 0.87 | TRPM4 (0.38) | — | |
| SCHEMBL21477508 | 0.75 | — | — | |
| SCHEMBL2747883 | 0.75 | HTT (0.38) | — | |
| SCHEMBL2749439 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL31026190 | 0.70 | — | — | |
| SCHEMBL2748609 | 0.69 | DAO (0.38) | — | |
| SCHEMBL4584646 | 0.68 | — | — | |
| SCHEMBL2748991 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL2749359 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL28035287 | 0.66 | IDO1 (0.61) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5637669-A | THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS | THE DOW CHEMICAL COMPANY (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0670856-A1 | THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES | THE DOW CHEMICAL COMPANY (US) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012556-A2 | THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES | THE DOW CHEMICAL COMPANY (US) | 1994-06-09 | — | — | WO | disclosed |