⚠ 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 SCHEMBL8579727 | 0.97 | — | — | |
| SCHEMBL3854162 | 0.81 | — | — | |
| SCHEMBL4242764 | 0.77 | CHRM2 (0.46) | — | |
| SCHEMBL8302087 | 0.73 | — | — | |
| SCHEMBL6952515 | 0.72 | CA12 (0.50) | — | |
| SCHEMBL11774432 | 0.71 | — | — | |
| SCHEMBL4487168 | 0.69 | — | — | |
| SCHEMBL26587 | 0.69 | — | — | |
| SCHEMBL20496299 | 0.69 | CA12 (0.39) | — | |
| Propylamine SCHEMBL940663 | 0.69 | CYP1A2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4289526-A | FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-09-15 | — | — | US | claimed |
| EP-0023756-A2 | Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-02-11 | — | — | EP | claimed |
| WO-2021041671-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-03-04 | — | — | WO | disclosed |
| EP-0487411-B1 | Erythromycin derivatives, their preparation, intermediates obtained and their application as medicaments | ROUSSEL UCLAF (FR) | 1996-01-31 | — | — | EP | disclosed |
| EP-0487411-A1 | Erythromycin derivatives, their preparation, intermediates obtained and their application as medicaments | ROUSSEL UCLAF (FR) | 1992-05-27 | — | — | EP | disclosed |
| US-4289526-A | FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-09-15 | — | — | US | disclosed |
| EP-0023756-A2 | Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-02-11 | — | — | EP | disclosed |