⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9307071 | 0.63 | — | — | |
| SCHEMBL9623430 | 0.56 | — | — | |
| SCHEMBL9575751 | 0.54 | TSHR (0.32) | — | |
| SCHEMBL11112817 | 0.53 | — | — | |
| SCHEMBL27702430 | 0.52 | — | — | |
| SCHEMBL13952083 | 0.49 | — | — | |
| SCHEMBL917415 | 0.48 | — | — | |
| SCHEMBL881144 | 0.48 | — | — | |
| SCHEMBL10799417 | 0.47 | — | — | |
| SCHEMBL4872030 | 0.47 | — | — |
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-5367043-A | Durable formaldehyde-free phenolic resins, and method of preparing such resins | ENZYMOL INTERNATIONAL, INC. (US) | 1994-11-22 | — | — | US | claimed |
| US-4039685-A | 1-PHENOXY-2-HYDROXY-3-TERT.-BUTYLAMINO PROPANE ANTIARRHYTHMIC COMPOUNDS | BOEHRINGER INGELHEIM GMBH (DT) | 1977-08-02 | — | — | US | disclosed |