⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2230882 | 1.00 | — | — | |
| SCHEMBL30508486 | 0.79 | — | — | |
| SCHEMBL8183345 | 0.72 | — | — | |
| SCHEMBL29263924 | 0.72 | HSD17B10 (0.67) | — | |
| SCHEMBL4475727 | 0.72 | HSD17B10 (0.59) | — | |
| SCHEMBL7530608 | 0.72 | HSD17B10 (0.59) | — | |
| SCHEMBL18937977 | 0.69 | — | — | |
| SCHEMBL593240 | 0.69 | — | — | |
| SCHEMBL6809713 | 0.67 | HSD17B10 (0.76) | — | |
| SCHEMBL2733548 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220151988-A1 | Choline Esters | ENCORE HEALTH LLC | 2022-05-19 | — | — | US | disclosed |
| US-11186561-B2 | Compounds, compositions and methods for treatment of eye disorders and skin diseases | CELLIX BIO PRIVATE LIMITED (IN) | 2021-11-30 | — | — | US | disclosed |
| US-20200352903-A1 | Choline Esters | ENCORE HEALTH LLC | 2020-11-12 | — | — | US | disclosed |
| US-20200262809-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF EYE DISORDERS AND SKIN DISEASES | CELLIX BIO PRIVATE LTD (IN) | 2020-08-20 | — | — | US | disclosed |