⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL156145 | 1.00 | — | — | |
| SCHEMBL29374752 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27895478 | 0.98 | MAOB (0.59) | — | |
| SCHEMBL612883 | 0.98 | MAOB (0.59) | — | |
| Hydrochloric Acid SCHEMBL27560881 | 0.95 | MAOB (0.58) | — | |
| Bromide SCHEMBL5349904 | 0.95 | MAOB (0.58) | — | |
| Bromide SCHEMBL4665378 | 0.95 | MAOB (0.58) | — | |
| Ethane SCHEMBL27513340 | 0.93 | MAOB (0.56) | — | |
| Cyanide SCHEMBL27586511 | 0.93 | MAOB (0.56) | — | |
| Acetone SCHEMBL27557249 | 0.89 | CES2 (0.55) | — |
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-6048863-A | SEXUAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-04-11 | — | — | US | disclosed |