⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11616249 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL11618480 | 0.86 | EPHX1 (0.36) | — | |
| SCHEMBL11612026 | 0.83 | EPHX1 (0.42) | — | |
| SCHEMBL11613493 | 0.83 | EPHX1 (0.42) | — | |
| SCHEMBL125624 | 0.81 | — | — | |
| SCHEMBL10435535 | 0.80 | — | — | |
| SCHEMBL19386249 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL1720168 | 0.79 | — | — | |
| SCHEMBL11616110 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL17288942 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085094-A | SULFENYLTHIOCARBONATES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-04-18 | — | — | US | claimed |
| US-20160058874-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-20150005230-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2015-01-01 | — | — | US | disclosed |
| US-20140255374-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20130196906-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2013-08-01 | — | — | US | disclosed |
| US-20130059816-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2013-03-07 | — | — | US | disclosed |
| US-20120064107-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-4085094-A | SULFENYLTHIOCARBONATES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-04-18 | — | — | US | disclosed |