⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36330 | 1.00 | — | — | |
| SCHEMBL920228 | 0.97 | — | — | |
| Butane SCHEMBL11601335 | 0.97 | TSHR (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28305274 | 0.97 | — | — | |
| SCHEMBL21611859 | 0.94 | LMNA (0.40) | — | |
| SCHEMBL11601530 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL17707727 | 0.88 | TSHR (0.40) | — | |
| 2-Mercaptoethanol SCHEMBL17707725 | 0.82 | LMNA (0.38) | — | |
| SCHEMBL14396201 | 0.80 | — | — | |
| SCHEMBL37114 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9260567-B2 | Multifunctional sulfur-containing polymers, compositions thereof and methods of use | PRC-DESOTO INTERNATIONAL, INC. (US) | 2016-02-16 | — | — | US | claimed |
| US-20150344631-A1 | MULTIFUNCTIONAL SULFUR-CONTAINING POLYMERS, COMPOSITIONS THEREOF AND METHODS OF USE | PRC DESOTO INT INC (US) | 2015-12-03 | — | — | US | claimed |
| US-20160355846-A1 | MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS | AGAIN BIO APS (DK) | 2016-12-08 | — | — | US | disclosed |