⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1120209 | 1.00 | — | — | |
| SCHEMBL30631681 | 0.75 | LDHA (0.35) | — | |
| SCHEMBL1422141 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL10381604 | 0.74 | KDM4E (0.41) | — | |
| SCHEMBL21676665 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL238196 | 0.72 | SLC1A3 (0.38) | — | |
| SCHEMBL28923240 | 0.72 | — | — | |
| SCHEMBL10672401 | 0.72 | — | — | |
| SCHEMBL3975509 | 0.72 | — | — | |
| SCHEMBL1423407 | 0.71 | CYP4A11 (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376524-B1 | DERIVATIVES OF CYCLOSPORIN A | CYPRALIS LTD (GB) | 2017-03-15 | — | — | EP | claimed |
| US-8536114-B2 | Macrocycles | SCYNEXIS, INC. (US) | 2013-09-17 | — | — | US | claimed |
| EP-2376524-A1 | DERIVATIVES OF CYCLOSPORIN A | Scynexis, Inc. (US) | 2011-10-19 | — | — | EP | claimed |
| WO-2010076329-A1 | DERIVATIVES OF CYCLOSPORIN A | SCYNEXIS, INC. (US) | 2010-07-08 | — | — | WO | claimed |
| US-20100173836-A1 | NOVEL MACROCYCLES | CYPRALIS LIMITED (GB) | 2010-07-08 | — | — | US | claimed |
| US-10077289-B2 | Cyclosporins modified on the MeBmt sidechain by heterocyclic rings | ALLERGAN, INC. (US) | 2018-09-18 | — | — | US | disclosed |
| EP-2376524-B1 | DERIVATIVES OF CYCLOSPORIN A | CYPRALIS LTD (GB) | 2017-03-15 | — | — | EP | disclosed |
| US-20160289271-A1 | Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings | ALLERGAN, INC. | 2016-10-06 | — | — | US | disclosed |
| US-8536114-B2 | Macrocycles | SCYNEXIS, INC. (US) | 2013-09-17 | — | — | US | disclosed |
| WO-2010076329-A1 | DERIVATIVES OF CYCLOSPORIN A | SCYNEXIS, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| US-20100173836-A1 | NOVEL MACROCYCLES | CYPRALIS LIMITED (GB) | 2010-07-08 | — | — | US | disclosed |