⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210260 | 0.98 | ADRB2 (0.30) | — | |
| SCHEMBL14191181 | 0.94 | ADRB2 (0.30) | — | |
| SCHEMBL7609809 | 0.93 | — | — | |
| SCHEMBL11576860 | 0.93 | LMNA (0.33) | — | |
| SCHEMBL1196107 | 0.92 | — | — | |
| SCHEMBL5163532 | 0.91 | LPAR2 (0.33) | — | |
| SCHEMBL209438 | 0.90 | ADRB2 (0.32) | — | |
| SCHEMBL309632 | 0.88 | — | — | |
| SCHEMBL6663772 | 0.86 | ADRB2 (0.30) | — | |
| SCHEMBL23534202 | 0.86 | LMNA (0.31) | — |
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-4129585-A | NO FORMATION OF HYDROGEN SULFIDE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1978-12-12 | — | — | US | disclosed |
| US-4072701-A | DI-, TRI-, AND TETRA-SULFIDES | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1978-02-07 | — | — | US | disclosed |