⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11272382 | 1.00 | — | — | |
| SCHEMBL11269132 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL11269135 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL11268058 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL11261713 | 0.74 | CRBN (0.36) | — | |
| SCHEMBL11270801 | 0.74 | TDP1 (0.49) | — | |
| SCHEMBL11264131 | 0.74 | TDP1 (0.49) | — | |
| SCHEMBL2718707 | 0.73 | CYP2C19 (0.39) | — | |
| SCHEMBL2718709 | 0.73 | CYP2C19 (0.39) | — | |
| SCHEMBL11257799 | 0.69 | KMT2A (0.38) | — |
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-4216160-A | IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS | MERCK & CO., INC. (US) | 1980-08-05 | — | — | US | disclosed |