⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6531908 | 0.84 | GLRA1 (0.30) | — | |
| SCHEMBL24699815 | 0.83 | CA12 (0.44) | — | |
| SCHEMBL291383 | 0.82 | — | — | |
| SCHEMBL24375 | 0.81 | — | — | |
| SCHEMBL104168 | 0.81 | — | — | |
| SCHEMBL1832755 | 0.80 | — | — | |
| SCHEMBL9129669 | 0.80 | KDM5A (0.39) | — | |
| SCHEMBL3541127 | 0.80 | — | — | |
| SCHEMBL2830770 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27342146 | 0.80 | CA12 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016201440-A1 | SPIROINDOLINONES AND THERAPEUTIC USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-12-15 | — | — | WO | disclosed |
| US-4447582-A | QUATERNIZATION, CROSSLINKING | COPOLYMER RUBBER & CHEMICAL CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |