⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7905097 | 0.90 | — | — | |
| SCHEMBL8205643 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL20377264 | 0.71 | — | — | |
| SCHEMBL7905099 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL7064134 | 0.60 | KDM4E (0.34) | — | |
| SCHEMBL5159548 | 0.60 | KDM4E (0.34) | — | |
| SCHEMBL5701610 | 0.60 | KDM4E (0.36) | — | |
| SCHEMBL556904 | 0.60 | KDM4E (0.36) | — | |
| SCHEMBL28222987 | 0.58 | CHRM2 (0.36) | — | |
| SCHEMBL31186268 | 0.57 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0172427-B1 | PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-07-05 | — | — | EP | disclosed |
| US-4758639-A | Process for production of vinyl polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-19 | — | — | US | disclosed |
| EP-0172427-A2 | Process for production of vinyl chloride polymer | Shin-Etsu Chemical Co., Ltd. (JP) | 1986-02-26 | — | — | EP | disclosed |