⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1157784 | 0.88 | TSHR (0.36) | — | |
| SCHEMBL11981308 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL132148 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL28470973 | 0.73 | HSD17B10 (0.37) | — | |
| SCHEMBL3078602 | 0.73 | KDM4E (0.52) | — | |
| SCHEMBL23175264 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL11037204 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL10957391 | 0.71 | KDM1A (0.33) | — | |
| SCHEMBL19491765 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL24705 | 0.69 | KDM4E (0.44) | — |
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-10472430-B2 | Polyacrylonitrile-sulphur composite having increased capacity | ROBERT BOSCH GMBH (DE) | 2019-11-12 | — | — | US | disclosed |
| US-20170158783-A1 | POLYACRYLONITRILE-SULPHUR COMPOSITE HAVING INCREASED CAPACITY | ROBERT BOSCH GMBH (DE) | 2017-06-08 | — | — | US | disclosed |