⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1306188 | 1.00 | — | — | |
| SCHEMBL680926 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2157658 | 0.98 | HRH4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4702852 | 0.98 | HRH4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2430335 | 0.98 | HRH4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2429996 | 0.98 | HRH4 (0.33) | — | |
| SCHEMBL2424503 | 0.86 | DRD2 (0.36) | — | |
| SCHEMBL2424018 | 0.86 | DRD2 (0.36) | — | |
| SCHEMBL2424015 | 0.86 | DRD2 (0.36) | — | |
| SCHEMBL222544 | 0.84 | CHRNA7 (0.34) | — |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-11858932-B2 | Methods and compositions for treating polycystic ovary syndrome | SPRUCE BIOSCIENCES, INC. (US) | 2024-01-02 | — | — | US | disclosed |
| US-11858932-B2 | Methods and compositions for treating polycystic ovary syndrome | SPRUCE BIOSCIENCES, INC. (US) | 2024-01-02 | — | — | US | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |
| US-20230322775-A1 | METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME | AVENUE CAPITAL MANAGEMENT II, L.P. | 2023-10-12 | — | — | US | disclosed |
| US-20230322775-A1 | METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME | AVENUE CAPITAL MANAGEMENT II, L.P. | 2023-10-12 | — | — | US | disclosed |
| US-20230295161-A1 | METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME | AVENUE CAPITAL MANAGEMENT II, L.P. | 2023-09-21 | — | — | US | disclosed |
| US-20230295161-A1 | METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME | AVENUE CAPITAL MANAGEMENT II, L.P. | 2023-09-21 | — | — | US | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090131491-A1 | ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I | SHIONOGI & CO., LTD. (JP) | 2009-05-21 | — | — | US | disclosed |
| US-7531539-B2 | Pyrrolotriazine kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-12 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| US-20080045496-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-02-21 | — | — | US | disclosed |