⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8679383 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL11787417 | 0.65 | NPFFR1 (0.37) | — | |
| SCHEMBL12138553 | 0.58 | — | — | |
| SCHEMBL2414202 | 0.57 | NPFFR1 (0.31) | — | |
| SCHEMBL1361570 | 0.57 | GRM4 (0.32) | — | |
| SCHEMBL6235140 | 0.57 | — | — | |
| SCHEMBL2362307 | 0.55 | — | — | |
| SCHEMBL11787902 | 0.54 | — | — | |
| SCHEMBL14116852 | 0.50 | — | — | |
| SCHEMBL12280437 | 0.50 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7501529-B2 | 7-Ethynyl-2,4,9-trithiaadamantane and related methods | THE UNIVERSITY OF AKRON (US) | 2009-03-10 | — | — | US | claimed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | claimed |
| WO-2005003089-A2 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2005-01-13 | — | — | WO | claimed |
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100072425-A1 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2010-03-25 | — | — | US | disclosed |
| US-7501529-B2 | 7-Ethynyl-2,4,9-trithiaadamantane and related methods | THE UNIVERSITY OF AKRON (US) | 2009-03-10 | — | — | US | disclosed |
| US-7501529-B2 | 7-Ethynyl-2,4,9-trithiaadamantane and related methods | THE UNIVERSITY OF AKRON (US) | 2009-03-10 | — | — | US | disclosed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| US-20080177094-A1 | 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods | AKRON, THE UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| WO-2005003089-A3 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | UNIV AKRON (US) | 2005-09-29 | — | — | WO | disclosed |
| WO-2005003089-A2 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2005-01-13 | — | — | WO | disclosed |
| WO-2005003089-A2 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2005-01-13 | — | — | WO | disclosed |