⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10760691 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL2174135 | 0.96 | — | — | |
| SCHEMBL2176877 | 0.96 | — | — | |
| SCHEMBL2173321 | 0.96 | — | — | |
| SCHEMBL2175361 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL2174434 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL2172991 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL2174316 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL2175475 | 0.87 | — | — | |
| Hexane SCHEMBL5886656 | 0.82 | TSHR (0.78) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962451-A3 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 2002-07-31 | — | — | EP | disclosed |
| EP-0725284-B1 | Ocular lens material | MENICON CO LTD (JP) | 2002-05-22 | — | — | EP | disclosed |
| EP-0668266-B1 | Process for preparing 1,1-diarylprolinols | MERCK & CO INC (US) | 2000-02-02 | — | — | EP | disclosed |
| EP-0962451-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0962451-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5703143-A | SILICON-CONTAINING POLYPHENYLENE ETHER POLYMER | MENICON CO., LTD. (JP) | 1997-12-30 | — | — | US | disclosed |
| EP-0725284-A2 | Ocular lens material | Menicon Co., Ltd. (JP) | 1996-08-07 | — | — | EP | disclosed |
| EP-0668266-A1 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0668266-A1 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| US-5264585-A | Reaction of diarylmethanol with boroxanine | MERCK & CO., INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5264585-A | Reaction of diarylmethanol with boroxanine | MERCK & CO., INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5189177-A | Chiral boron catalysts for reduction of ketones and process for their preparation | MERCK & CO., INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5189177-A | Chiral boron catalysts for reduction of ketones and process for their preparation | MERCK & CO., INC. (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0453298-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | disclosed |
| EP-0453298-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | disclosed |
| US-5039802-A | Arylation process for preparation of chiral catalysts for ketone reduction | MERCK & CO., INC. (US) | 1991-08-13 | — | — | US | disclosed |
| US-5039802-A | Arylation process for preparation of chiral catalysts for ketone reduction | MERCK & CO., INC. (US) | 1991-08-13 | — | — | US | disclosed |