⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15133 | 0.97 | — | — | |
| SCHEMBL11755958 | 0.95 | — | — | |
| Ethylene SCHEMBL624465 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL27797661 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4178093 | 0.95 | — | — | |
| SCHEMBL28122316 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28223805 | 0.95 | — | — | |
| Propene SCHEMBL28222000 | 0.92 | TSHR (0.40) | — | |
| Alcohol SCHEMBL7595677 | 0.92 | TSHR (0.40) | — | |
| SCHEMBL7942711 | 0.92 | TSHR (0.40) | — |
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-110062795-A | METHOD FOR PRODUCING POLYMER EMULSION FOR WATER-RESISTANT COATING FILM | 花王株式会社 | 2019-07-26 | — | — | CN | disclosed |
| CN-109070390-A | Reinforcing fiber bundles and moulding material | 三井化学株式会社 | 2018-12-21 | — | — | CN | disclosed |