⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1550237 | 0.96 | — | — | |
| SCHEMBL11291197 | 0.92 | — | — | |
| SCHEMBL29145167 | 0.92 | — | — | |
| Trimethylammonium SCHEMBL7538093 | 0.86 | — | — | |
| SCHEMBL8711126 | 0.86 | — | — | |
| SCHEMBL2836919 | 0.81 | HCAR2 (0.30) | — | |
| SCHEMBL28794967 | 0.78 | — | — | |
| SCHEMBL22313618 | 0.76 | — | — | |
| SCHEMBL317391 | 0.74 | — | — | |
| SCHEMBL6364512 | 0.74 | — | — |
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-109152723-A | The aqueous emulsion of the organopolysiloxane of carbamate functional | 瓦克化学股份公司 | 2019-01-04 | — | — | CN | disclosed |
| US-4444913-A | FROM A METHYLENE DIISOCYANATE, POLYESTER OR POLYETHER, ALICYLIC GLYCOL, COMPRESSIVE STRENGTH, GOOD FLAME AND SMOKE PROPERTIES | THERMOCELL DEVELOPMENT, LTD. (US) | 1984-04-24 | — | — | US | disclosed |