⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10874232 | 0.97 | — | — | |
| SCHEMBL29170697 | 0.75 | — | — | |
| SCHEMBL221076 | 0.72 | — | — | |
| SCHEMBL1144851 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL6671577 | 0.72 | — | — | |
| SCHEMBL6509575 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL2304026 | 0.69 | — | — | |
| SCHEMBL1397888 | 0.69 | — | — | |
| SCHEMBL30143 | 0.67 | — | — | |
| SCHEMBL11403284 | 0.67 | LDHA (0.31) | — |
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-4111991-A | AMINE HALIDES FROM A HALOGEN, A HYDRAZINE AND AN AMINE | DEEPWATER CHEMICAL CO. (US) | 1978-09-05 | — | — | US | disclosed |