⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231442 | 0.81 | — | — | |
| SCHEMBL27790583 | 0.78 | — | — | |
| SCHEMBL1326144 | 0.77 | — | — | |
| SCHEMBL2233573 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL28520184 | 0.73 | KDM1A (0.30) | — | |
| SCHEMBL22632373 | 0.73 | — | — | |
| SCHEMBL27548130 | 0.73 | CYP3A4 (0.30) | — | |
| SCHEMBL27583777 | 0.72 | SLC6A2 (0.38) | — | |
| Phenol SCHEMBL28189694 | 0.71 | CA12 (0.33) | — | |
| SCHEMBL8590353 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117903574-A | PET high-toughness cold-resistant agent and preparation method thereof | 东莞市锦源高分子科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-0239961-B1 | A SILICONE RUBBER COMPOSITION | Shin-Etsu Chemical Co., Ltd. (JP) | 1992-10-21 | — | — | EP | disclosed |
| EP-0278731-A2 | A silicone rubber composition | Shin-Etsu Chemical Co., Ltd. (JP) | 1988-08-17 | — | — | EP | disclosed |
| US-4755554-A | Silicone rubber composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-05 | — | — | US | disclosed |
| EP-0239961-A2 | A silicone rubber composition | Shin-Etsu Chemical Co., Ltd. (JP) | 1987-10-07 | — | — | EP | disclosed |