⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11630650 | 0.84 | ALDH1A1 (0.49) | — | |
| SCHEMBL28640495 | 0.78 | PRKACA (0.44) | — | |
| SCHEMBL11632146 | 0.75 | PRKACA (0.52) | — | |
| SCHEMBL28211510 | 0.72 | TAAR1 (0.42) | — | |
| SCHEMBL138439 | 0.69 | PRKACA (0.50) | — | |
| Oxalic Acid SCHEMBL4623619 | 0.69 | SLC6A3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL12804515 | 0.68 | PRKACA (0.49) | — | |
| SCHEMBL27551469 | 0.68 | DRD2 (0.46) | — | |
| SCHEMBL11632150 | 0.68 | PRKACA (0.55) | — | |
| SCHEMBL28771523 | 0.68 | PRKACA (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4087606-A | ANTIALLERGENS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-02 | — | — | US | claimed |