⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83771 | 0.73 | — | — | |
| SCHEMBL11244260 | 0.70 | — | — | |
| SCHEMBL23741 | 0.70 | — | — | |
| Phosphine SCHEMBL28963125 | 0.67 | — | — | |
| SCHEMBL4949573 | 0.67 | — | — | |
| SCHEMBL835953 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL3288206 | 0.67 | — | — | |
| SCHEMBL10983922 | 0.67 | — | — | |
| SCHEMBL4185680 | 0.67 | — | — | |
| Lithium SCHEMBL3205664 | 0.67 | TSHR (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4295862-A | ANTIKNOCK ACETYLENIC AMINES | PHILLIPS PETROLEUM COMPANY (US) | 1981-10-20 | — | — | US | claimed |
| US-4295862-A | ANTIKNOCK ACETYLENIC AMINES | PHILLIPS PETROLEUM COMPANY (US) | 1981-10-20 | — | — | US | disclosed |