⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5121797 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL23063644 | 0.71 | SLC22A1 (0.31) | — | |
| SCHEMBL23881992 | 0.71 | SLC22A1 (0.31) | — | |
| SCHEMBL23063645 | 0.71 | SLC22A1 (0.31) | — | |
| SCHEMBL2419343 | 0.68 | CYP2C19 (0.32) | — | |
| SCHEMBL873448 | 0.68 | CYP2C19 (0.32) | — | |
| SCHEMBL11741871 | 0.67 | CYP2C19 (0.31) | — | |
| Ethyne SCHEMBL9567181 | 0.67 | — | — | |
| SCHEMBL11741874 | 0.67 | CYP2C19 (0.31) | — | |
| SCHEMBL11741880 | 0.67 | CYP2C19 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9976165-B2 | Methods for increasing molecular diversity of polyketides and non-ribosomal proteins | ISOMERASE THERAPEUTICS, LTD. (GB) | 2018-05-22 | — | — | US | disclosed |
| US-20170101659-A1 | METHODS FOR INCREASING MOLECULAR DIVERSITY OF POLYKETIDES AND NON-RIBOSOMAL PROTEINS | Isomerase Therapeutics Ltd. (GB) | 2017-04-13 | — | — | US | disclosed |
| US-9505773-B2 | Rapamycin analogues and their pharmaceutical use | Isomerase Therapeutics Ltd. (GB) | 2016-11-29 | — | — | US | disclosed |
| US-20160176893-A1 | RAPAMYCIN ANALOGUES AND THEIR PHARMACEUTICAL USE | ISOMERASE THERAPEUTICS, LTD. (GB) | 2016-06-23 | — | — | US | disclosed |