Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Heptane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL9246831 | 0.95 | — | — | |
| Hexadecane SCHEMBL1704463 | 0.95 | TSHR (0.89) | — | |
| Decane SCHEMBL3845278 | 0.95 | TSHR (0.89) | — | |
| Tetradecane SCHEMBL27789050 | 0.95 | TSHR (0.89) | — | |
| Octane SCHEMBL1052118 | 0.95 | — | — | |
| Hexane SCHEMBL14141588 | 0.95 | — | — | |
| Decane SCHEMBL17006303 | 0.90 | TSHR (0.80) | — | |
| Decane SCHEMBL17434820 | 0.90 | TSHR (0.80) | — | |
| Hexadecane SCHEMBL7035543 | 0.90 | TSHR (0.80) | — | |
| Heptane SCHEMBL8995511 | 0.90 | TSHR (0.80) | — |
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-116969936-A | BCL-2 inhibitors | 百济神州有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116969937-A | BCL-2 inhibitors | 百济神州有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116802179-A | BCL-2 inhibitors | 百济神州有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-116744933-A | Methods for preparing bisheteroaryl compounds and crystalline forms thereof | 基因泰克公司 | 2023-09-12 | — | — | CN | disclosed |
| EP-4136084-A1 | BCL-2 INHIBITOR | BeiGene, Ltd. (KY) | 2023-02-22 | — | — | EP | disclosed |
| WO-2021208963-A1 | BCL-2 INHIBITOR | BEIGENE, LTD. (KY) | 2021-10-21 | — | — | WO | disclosed |
| CN-112585132-A | Proteasome activity enhancing compounds | 蛋白质平衡治疗股份有限公司 | 2021-03-30 | — | — | CN | disclosed |