⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7962272 | 0.75 | — | — | |
| SCHEMBL2647057 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL6784562 | 0.67 | SENP6 (0.56) | — | |
| SCHEMBL6784565 | 0.67 | SENP6 (0.56) | — | |
| SCHEMBL2655169 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL2648429 | 0.63 | CYP1A2 (0.46) | — | |
| SCHEMBL6768931 | 0.62 | RAB9A (0.41) | — | |
| SCHEMBL6768929 | 0.62 | RAB9A (0.41) | — | |
| SCHEMBL2646178 | 0.62 | CYP1A2 (0.48) | — | |
| SCHEMBL30893809 | 0.62 | CYP1A2 (0.48) | — |
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-6291460-B1 | TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS | MERCK SHARP & DOHME LIMITED (GB) | 2001-09-18 | — | — | US | disclosed |