⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28073878 | 0.97 | TSHR (0.37) | — | |
| SCHEMBL98071 | 0.97 | — | — | |
| SCHEMBL29115132 | 0.93 | — | — | |
| Bromide SCHEMBL6153681 | 0.93 | — | — | |
| Water SCHEMBL28430193 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11059653 | 0.93 | — | — | |
| Water SCHEMBL319030 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL93723 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL17870610 | 0.93 | — | — | |
| SCHEMBL28078540 | 0.93 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110022846-A | Hair cosmetic composition containing thiol-based compound and method for cleaning and treating hair | 欧莱雅 | 2019-07-16 | — | — | CN | disclosed |
| CN-109640942-A | The personal care composition with glyceride Crystallization with improved coacervate property | 宝洁公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-108697606-A | Personal care composition and the method for using such composition | 罗地亚经营管理公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-108697615-A | Hair treatment method and hair treatment agent set | 熊谷昌代 | 2018-10-23 | — | — | CN | disclosed |
| CN-108484441-A | Levocarnitine intermediate L-（-）The synthetic method of chlorination 3- cyano -2- hydroxypropyl trimethylammonium amine | 常州兰陵制药有限公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-108484441-A | Levocarnitine intermediate L-（-）The synthetic method of chlorination 3- cyano -2- hydroxypropyl trimethylammonium amine | 常州兰陵制药有限公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-105748384-A | Toothpaste capable of enhancing tooth surface gloss | 安徽万春日化有限公司 | 2016-07-13 | — | — | CN | disclosed |