⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5533465 | 0.87 | ALDH1A1 (0.72) | — | |
| SCHEMBL11677298 | 0.82 | — | — | |
| SCHEMBL11716131 | 0.82 | — | — | |
| SCHEMBL16024221 | 0.82 | — | — | |
| SCHEMBL5830059 | 0.81 | ALDH1A1 (0.83) | — | |
| SCHEMBL11127833 | 0.81 | ALDH1A1 (0.94) | — | |
| SCHEMBL9811325 | 0.80 | — | — | |
| SCHEMBL24234909 | 0.79 | ALDH1A1 (0.62) | — | |
| SCHEMBL11126451 | 0.79 | ALDH1A1 (1.00) | — | |
| SCHEMBL8038216 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4505859-A | Preparation of 2-haloethylamides | THE DOW CHEMICAL COMPANY (US) | 1985-03-19 | — | — | US | claimed |
| US-8183234-B2 | Tricyclic guanidine derivatives as sodium-proton exchange inhibitors | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-05-22 | — | — | US | disclosed |
| US-20100267690-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2010-10-21 | — | — | US | disclosed |
| EP-1812420-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | Nicholas Piramal India Limited (IN) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006051476-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2006-05-18 | — | — | WO | disclosed |
| US-4702906-A | SHAMPOO, HAIR DYES | SOCIETE ANONYME DITE: L'OREAL (FR) | 1987-10-27 | — | — | US | disclosed |
| US-4517174-A | Hair treatment compositions based on polycationic polymers | SOCIETE ANONYME DITE: L'OREAL (FR) | 1985-05-14 | — | — | US | disclosed |
| US-4505859-A | Preparation of 2-haloethylamides | THE DOW CHEMICAL COMPANY (US) | 1985-03-19 | — | — | US | disclosed |
| US-4411884-A | Cosmetic agents based on polycationic polymers, and their use in cosmetic compositions | SOCIETE ANONYME DITE: L'OREAL (FR) | 1983-10-25 | — | — | US | disclosed |