⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22919325 | 1.00 | — | — | |
| SCHEMBL12461756 | 0.85 | BCAT2 (0.48) | — | |
| SCHEMBL29256341 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL10055927 | 0.78 | — | — | |
| SCHEMBL16015603 | 0.78 | — | — | |
| SCHEMBL1436205 | 0.78 | — | — | |
| SCHEMBL1315186 | 0.78 | — | — | |
| SCHEMBL9749983 | 0.78 | BCAT2 (0.39) | — | |
| SCHEMBL15835816 | 0.78 | — | — | |
| SCHEMBL10056070 | 0.78 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104780902-A | Composition for external use | ROHTO PHARMA | 2015-07-15 | — | — | CN | disclosed |
| CN-102271653-B | Hair cosmetic | SHISEDO CO LTD | 2014-01-29 | — | — | CN | disclosed |
| CN-102271653-A | Hair cosmetic | — | 2011-12-07 | — | — | CN | disclosed |
| EP-2387987-A1 | HAIR COSMETIC | Shiseido Co., Ltd. (JP) | 2011-11-23 | — | — | EP | disclosed |
| US-20110274642-A1 | Hair Cosmetic | SHISEIDO COMPANY, LTD. (JP) | 2011-11-10 | — | — | US | disclosed |
| US-20110255095-A1 | Optical Coherence Tomography Imaging System and Method | THORLABS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| US-20080312304-A1 | Topical compositions containing metronidazole | ZHANG JERRY | 2008-12-18 | — | — | US | disclosed |
| US-20080287514-A1 | Topical compositions containing metronidazole | ZHANG JERRY | 2008-11-20 | — | — | US | disclosed |
| US-20080287515-A1 | Aqueous compositions containing solubilized metronidazole at a concentration of 0.75% by weight or greater are obtained by using combination of solubility enhancing agents, one of which is niacinamide and the other is hydroxyalkyl urea; treatment of dermal and mucosal disorders, for example, rosacea | ZHANG JERRY | 2008-11-20 | — | — | US | disclosed |
| US-20080081052-A1 | Topical compositions containing solubilized allantoin and related methods | ZHANG JERRY | 2008-04-03 | — | — | US | disclosed |
| US-20080057002-A1 | Non-aqueous compositions containing urea and allantoin and methods for preparing same | ZHANG JERRY | 2008-03-06 | — | — | US | disclosed |
| US-20070172436-A1 | Nonaqueous ascorbic acid compositions and methods for preparing same | ZHANG JERRY | 2007-07-26 | — | — | US | disclosed |