⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28053026 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL28005189 | 0.83 | — | — | |
| SCHEMBL4074799 | 0.77 | — | — | |
| SCHEMBL17894148 | 0.77 | IDO1 (0.33) | — | |
| Methylamine SCHEMBL28005165 | 0.73 | IDO1 (0.34) | — | |
| SCHEMBL27840470 | 0.72 | NOS3 (0.30) | — | |
| SCHEMBL28826146 | 0.71 | — | — | |
| SCHEMBL28237687 | 0.71 | — | — | |
| SCHEMBL28000696 | 0.69 | — | — | |
| SCHEMBL4072769 | 0.68 | IDO1 (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 |
|---|---|---|---|---|---|---|---|
| CN-103987774-B | Rubber composition and pneumatic tire | 住友橡胶工业株式会社 | 2018-10-26 | — | — | CN | disclosed |
| WO-2016108715-A1 | DILITHIUM INITIATOR FOR ANIONIC POLYMERIZATION | PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) | 2016-07-07 | — | — | WO | disclosed |