⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11482211 | 0.97 | — | — | |
| SCHEMBL27646532 | 0.69 | — | — | |
| SCHEMBL28300142 | 0.69 | L3MBTL1 (0.41) | — | |
| SCHEMBL146698 | 0.68 | — | — | |
| SCHEMBL2659537 | 0.68 | — | — | |
| SCHEMBL17037403 | 0.68 | — | — | |
| SCHEMBL4240507 | 0.68 | — | — | |
| SCHEMBL482079 | 0.68 | — | — | |
| SCHEMBL3949080 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL27904031 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115443269-A | Substituted pyrimidines and methods of use | 施万生物制药研发IP有限责任公司 | 2022-12-06 | — | — | CN | disclosed |
| WO-2015154169-A1 | BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2015-10-15 | — | — | WO | disclosed |
| US-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | US | disclosed |
| US-20100016401-A1 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | Actelion Phamaceuticals Ltd. (CH) | 2010-01-21 | — | — | US | disclosed |
| WO-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008038251-A2 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-04-03 | — | — | WO | disclosed |
| EP-0540318-A1 | 2-Heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |